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3-(4-(2-phenoxyethoxy)phenyl)-8-chloroimidazo[1,2-a]pyrazine
3-(4-(2-phenoxyethoxy)phenyl)-8-chloroimidazo[1,2-a]pyrazine
ID: BP-11714
Supplier:BroadPharm

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SMILES:c1nc(c2n(c1)c(cn2)c1ccc(cc1)OCCOc1ccccc1)Cl	
FORMULA: C20H16ClN3O2
MASS: 365.8129
EXACT MASS: 365.0931044
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6001     0.0000 
   C   3    1.0393     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   N   5    1.0392     1.2000     1.0393     0.6001     0.0000 
   C   6    0.6000     1.0393     1.2001     1.0393     0.6000     0.0000 
   N   7    1.7913     1.6205     1.0963     0.6001     0.9709     1.5385 
   C   8    1.9853     1.9853     1.5627     0.9708     0.9708     1.5627 
   C   9    1.6205     1.7913     1.5385     0.9709     0.6001     1.0963 
   C  10    1.9466     2.2481     2.0885     1.5506     1.0673     1.3534 
   C  11    2.5385     2.8033     2.5751     1.9972     1.6044     1.9498 
   C  12    2.9478     3.2847     3.1163     2.5562     2.1059     2.3479 
   C  13    2.8778     3.3040     3.2440     2.7378     2.2047     2.2922 
   C  14    2.3721     2.8481     2.8729     2.4312     1.8508     1.8121 
   C  15    1.8387     2.2762     2.2745     1.8345     1.2510     1.2542 
   O  16    3.3927     3.8524     3.8255     3.3313     2.7870     2.8238 
   C  17    3.9152     4.3412     4.2579     3.7280     3.2220     3.3312 
   C  18    4.4316     4.8838     4.8293     4.3105     3.7905     3.8597 
   O  19    4.9536     5.3793     5.2819     4.7393     4.2500     4.3705 
   C  20    5.4705     5.9178     5.8454     5.3125     4.8092     4.8970 
   C  21    5.9921     6.4176     6.3107     5.7605     5.2823     5.4096 
   C  22    6.5096     6.9535     6.8685     6.3266     5.8352     5.9350 
   C  23    6.5471     7.0250     6.9908     6.4735     5.9516     5.9917 
   C  24    6.0734     6.5716     6.5738     6.0784     5.5360     5.5334 
   C  25    5.5152     6.0018     5.9887     5.4868     4.9499     4.9657 
  Cl  26    1.5856     1.0374     0.5979     1.0374     1.5856     1.7980 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.5999     0.0000 
   C   9    0.9709     0.6000     0.0000 
   C  10    1.5505     1.0674     0.5978     0.0000 
   C  11    1.8345     1.2511     1.0374     0.6000     0.0000 
   C  12    2.4312     1.8510     1.5854     1.0392     0.6000     0.0000 
   C  13    2.7378     2.2048     1.7979     1.2001     1.0392     0.6000 
   C  14    2.5562     2.1059     1.5854     1.0392     1.1999     1.0392 
   C  15    1.9972     1.6044     1.0374     0.6000     1.0392     1.1999 
   O  16    3.3369     2.7979     2.3972     1.7995     1.5972     1.0545 
   C  17    3.6512     3.0766     2.7644     2.1777     1.8265     1.2269 
   C  18    4.2487     3.6761     3.3521     2.7605     2.4264     1.8269 
   O  19    4.6183     4.0288     3.7698     3.1945     2.7844     2.1934 
   C  20    5.2084     4.6215     4.3457     3.7633     3.3739     2.7789 
   C  21    5.6111     5.0155     4.7896     4.2222     3.7854     3.2056 
   C  22    6.1939     5.6003     5.3568     4.7818     4.3635     3.7773 
   C  23    6.3943     5.8115     5.5131     4.9233     4.5613     3.9632 
   C  24    6.0441     5.4751     5.1322     4.5359     4.2262     3.6268 
   C  25    5.4453     4.8753     4.5371     3.9417     3.6263     3.0268 
  Cl  26    1.3025     1.8753     2.0056     2.5879     3.0192     3.5887 

              C  13      C  14      C  15      O  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 
   C  15    1.0392     0.6000     0.0000 
   O  16    0.5999     1.0232     1.5766     0.0000 
   C  17    1.0392     1.5766     2.0777     0.5999     0.0000 
   C  18    1.5874     2.0622     2.6082     1.0392     0.6000     0.0000 
   O  19    2.0785     2.6023     3.1168     1.5875     1.0393     0.6000 
   C  20    2.6152     3.1013     3.6441     2.0784     1.5874     1.0392 
   C  21    3.1176     3.6356     4.1558     2.6153     2.0785     1.5874 
   C  22    3.6496     4.1406     4.6816     3.1177     2.6154     2.0785 
   C  23    3.7469     4.1800     4.7509     3.1749     2.7495     2.1633 
   C  24    3.3406     3.7247     4.3105     2.7495     2.4000     1.7999 
   C  25    2.7495     3.1538     3.7329     2.1634     1.8000     1.2000 
  Cl  26    3.7714     3.4358     2.8358     4.3620     4.7654     5.3473 

              O  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   O  19    0.0000 
   C  20    0.5999     0.0000 
   C  21    1.0392     0.6000     0.0000 
   C  22    1.5874     1.0393     0.6000     0.0000 
   C  23    1.7999     1.2000     1.0392     0.6000     0.0000 
   C  24    1.5874     1.0392     1.2000     1.0392     0.5999     0.0000 
   C  25    1.0392     0.6000     1.0392     1.2000     1.0392     0.5999 
  Cl  26    5.7754     6.3497     6.7942     7.3625     7.5105     7.1110 

              C  25     Cl  26
              ----------------------
   C  25    0.0000 
  Cl  26    6.5209     0.0000 



ATOMIC CHARGES
   C   1    0.1189518155
   N   2   -0.2278214881
   C   3    0.1726318604
   C   4    0.1766672279
   N   5   -0.2854056176
   C   6    0.1022312704
   N   7   -0.2225923397
   C   8    0.1180715623
   C   9    0.0845910155
   C  10    0.0178964362
   C  11    0.0046065467
   C  12    0.0369487974
   C  13    0.1387351231
   C  14    0.0369487974
   C  15    0.0046065467
   O  16   -0.4714269474
   C  17    0.2524665708
   C  18    0.2524665708
   O  19   -0.4714269525
   C  20    0.1387338882
   C  21    0.0369002014
   C  22    0.0031122628
   C  23    0.0002015651
   C  24    0.0031122628
   C  25    0.0369002014
  Cl  26   -0.0581071777


BOND ANGLES
   2    1    6  Nar  Car  Car    120.001
   1    2    3  Car  Nar  Car    120.001
   2    3    4  Nar  Car  Car    119.999
   2    3   26  Nar  Car   Cl    120.001
   4    3   26  Car  Car   Cl    120.001
   3    4    5  Car  Car  Nar    120.001
   3    4    7  Car  Car  Nar    132.002
   5    4    7  Nar  Car  Nar    107.997
   4    5    6  Car  Nar  Car    120.001
   4    5    9  Car  Nar  Car    107.997
   6    5    9  Car  Nar  Car    132.002
   1    6    5  Car  Car  Nar    119.999
   4    7    8  Car  Nar  Car    107.998
   7    8    9  Nar  Car  Car    108.015
   5    9    8  Nar  Car  Car    107.992
   8    9   10  Car  Car  Car    126.015
   5    9   10  Nar  Car  Car    125.993
   9   10   11  Car  Car  Car    120.000
   9   10   15  Car  Car  Car    120.011
  11   10   15  Car  Car  Car    119.989
  10   11   12  Car  Car  Car    120.005
  11   12   13  Car  Car  Car    120.006
  12   13   14  Car  Car  Car    119.989
  12   13   16  Car  Car   O3    123.004
  14   13   16  Car  Car   O3    117.007
  13   14   15  Car  Car  Car    120.005
  10   15   14  Car  Car  Car    120.006
  13   16   17  Car   O3   C3    120.004
  16   17   18   O3   C3   C3    120.002
  17   18   19   C3   C3   O3    119.999
  18   19   20   C3   O3  Car    119.993
  19   20   21   O3  Car  Car    119.993
  19   20   25   O3  Car  Car    120.014
  21   20   25  Car  Car  Car    119.994
  20   21   22  Car  Car  Car    119.999
  21   22   23  Car  Car  Car    119.994
  22   23   24  Car  Car  Car    120.005
  23   24   25  Car  Car  Car    120.004
  20   25   24  Car  Car  Car    120.005


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3   26    179.974
   2    3    4    5      0.026
   2    3    4    7    179.974
  26    3    4    5    179.974
  26    3    4    7      0.026
   3    4    5    6      0.026
   3    4    5    9    179.974
   7    4    5    6    179.974
   7    4    5    9      0.026
   4    5    6    1      0.026
   9    5    6    1    179.974
   5    6    1    2      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026
   4    7    8    9      0.026
   7    8    9    5      0.026
   7    8    9   10    179.974
   8    9    5    4      0.026
   8    9    5    6    179.974
  10    9    5    4    179.974
  10    9    5    6      0.026
   8    9   10   11      0.026
   8    9   10   15    179.974
   5    9   10   11    179.974
   5    9   10   15      0.026
   9   10   11   12    179.974
  15   10   11   12      0.026
  10   11   12   13      0.026
  11   12   13   14      0.026
  11   12   13   16    179.974
  12   13   14   15      0.026
  16   13   14   15    179.974
  13   14   15   10      0.026
  14   15   10    9    179.974
  14   15   10   11      0.026
  17   16   13   12      0.026
  17   16   13   14    179.974
  18   17   16   13    179.974
  19   18   17   16    179.974
  20   19   18   17    179.974
  21   20   19   18    179.974
  25   20   19   18      0.026
  19   20   21   22    179.974
  25   20   21   22      0.026
  20   21   22   23      0.026
  21   22   23   24      0.026
  22   23   24   25      0.026
  23   24   25   20      0.026
  24   25   20   19    179.974
  24   25   20   21      0.026