Sign In Join Free

Products Information

2-Benzyl-1-oxo-2,5-diaza-spiro[3.5]
2-Benzyl-1-oxo-2,5-diaza-spiro[3.5]
ID: BP-11704
Supplier:BroadPharm

Get a quote


SMILES:C12(N(C(=O)OC(C)(C)C)CCCC2)C(=O)N(C1)Cc1ccccc1	
FORMULA: C19H26N2O3
MASS: 330.4213
EXACT MASS: 330.1943427
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6011     0.0000 
   C   3    0.5993     1.1901     0.0000 
   N   4    0.8476     1.2604     0.5994     0.0000 
   C   5    1.1084     0.5993     1.6250     1.4797     0.0000 
   C   6    0.5993     0.7304     0.8476     0.5993     0.8817     0.0000 
   O   7    1.5487     0.9508     2.1226     2.0590     0.6000     1.4602 
   C   8    1.4486     1.8252     1.1084     0.6010     1.9352     1.1096 
   O   9    1.1556     1.7567     0.5981     1.0390     2.2209     1.4343 
   O  10    1.3897     1.0745     1.7521     1.3989     0.5975     0.9046 
   C  11    2.1073     1.5235     2.6563     2.5058     1.0399     1.9141 
   C  12    0.6000     1.0399     0.7308     1.2603     1.6258     1.1891 
   C  13    1.0417     0.6010     1.6281     1.8252     0.9525     1.3286 
   C  14    1.8211     2.2951     1.3250     1.0375     2.4876     1.6240 
   C  15    2.5866     1.9865     3.1624     3.0674     1.5879     2.4695 
   C  16    2.3043     1.7856     2.7824     2.5050     1.2006     1.9604 
   C  17    2.6812     2.1088     3.2110     3.0047     1.5863     2.4303 
   C  18    1.7794     2.3404     1.1919     1.1985     2.6633     1.7839 
   C  19    2.4036     2.8444     1.9250     1.5869     2.9706     2.1425 
   C  20    1.0399     1.2000     1.3290     1.8245     1.7858     1.6258 
   C  21    1.2021     1.0398     1.6810     2.0497     1.5239     1.6793 
   C  22    2.8444     3.3357     2.3073     2.0792     3.5169     2.6629 
   C  23    2.3403     2.9173     1.7423     1.7995     3.2610     2.3833 
   C  24    2.8179     3.3671     2.2335     2.1640     3.6433     2.7633 

              O   7      C   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    2.5338     0.0000 
   O   9    2.7023     1.3287     0.0000 
   O  10    1.0733     1.6882     2.3367     0.0000 
   C  11    0.6011     2.9085     3.2477     1.2633     0.0000 
   C  12    1.9528     1.8244     1.0002     1.9789     2.5457     0.0000 
   C  13    0.9095     2.4076     2.1223     1.5380     1.4981     1.2021 
   C  14    3.0795     0.5975     1.2659     2.2811     3.4850     2.0461 
   C  15    1.0399     3.4949     3.7414     1.8631     0.6000     2.9548 
   C  16    1.0375     2.7996     3.3799     1.1184     0.5953     2.8231 
   C  17    1.1985     3.3483     3.8072     1.6607     0.5974     3.1383 
   C  18    3.2230     1.0378     0.8704     2.5842     3.6980     1.8211 
   C  19    3.5699     1.0375     1.8355     2.6790     3.9251     2.6471 
   C  20    1.9323     2.4065     1.5544     2.2637     2.5300     0.6011 
   C  21    1.4974     2.6507     2.0418     2.0857     2.0699     1.0417 
   C  22    4.1126     1.5870     2.0721     3.2602     4.4945     2.9935 
   C  23    3.8150     1.5863     1.2958     3.1823     4.2972     2.2950 
   C  24    4.2212     1.7996     1.8570     3.4790     4.6616     2.8444 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.8444     0.0000 
   C  15    1.8012     4.0645     0.0000 
   C  16    1.9313     3.3952     1.0341     0.0000 
   C  17    2.0899     3.9391     0.5974     0.5958     0.0000 
   C  18    2.8179     0.6000     4.2485     3.6983     4.2032     0.0000 
   C  19    3.4112     0.6010     4.5173     3.7644     4.3336     1.0398 
   C  20    1.0398     2.6472     2.8330     2.9169     3.1252     2.4036 
   C  21    0.6000     2.9935     2.2988     2.5278     2.6510     2.8444 
   C  22    3.8776     1.0417     5.0819     4.3551     4.9191     1.2021 
   C  23    3.3670     1.0398     4.8442     4.2977     4.8042     0.6010 
   C  24    3.8582     1.2021     5.2303     4.5953     5.1330     1.0417 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.2482     0.0000 
   C  21    3.5870     0.6010     0.0000 
   C  22    0.6011     3.5871     3.9882     0.0000 
   C  23    1.2000     2.8444     3.3356     1.0399     0.0000 
   C  24    1.0399     3.4113     3.8776     0.6000     0.6011     0.0000 




ATOMIC CHARGES
   C   1    0.1501121773
   N   2   -0.2396140879
   C   3    0.2437656696
   N   4   -0.2719617218
   C   5    0.4049595157
   C   6    0.1208071031
   O   7   -0.4417821723
   C   8    0.1202440570
   O   9   -0.2730863935
   O  10   -0.2261875284
   C  11    0.1378300052
   C  12    0.0289998321
   C  13    0.0971439482
   C  14   -0.0023338015
   C  15    0.0437415191
   C  16    0.0437415191
   C  17    0.0437415191
   C  18   -0.0026119884
   C  19   -0.0026119884
   C  20    0.0039602372
   C  21    0.0216992188
   C  22   -0.0002689825
   C  23   -0.0002689825
   C  24   -0.0000186745


BOND ANGLES
   2    1    3  Nam   C3   C2    164.972
   2    1    6  Nam   C3   C3     74.962
   2    1   12  Nam   C3   C3    119.939
   3    1    6   C2   C3   C3     90.009
   3    1   12   C2   C3   C3     75.090
   6    1   12   C3   C3   C3    165.099
   1    2    5   C3  Nam   C2    134.840
   1    2   13   C3  Nam   C3    120.118
   5    2   13   C2  Nam   C3    105.042
   1    3    4   C3   C2  Nam     89.998
   1    3    9   C3   C2   O2    149.633
   4    3    9  Nam   C2   O2    120.370
   3    4    8   C2  Nam   C3    134.852
   3    4    6   C2  Nam   C3     89.991
   6    4    8   C3  Nam   C3    135.158
   2    5    7  Nam   C2   O3    104.901
   2    5   10  Nam   C2   O2    127.749
   7    5   10   O3   C2   O2    127.349
   1    6    4   C3   C3  Nam     90.002
   5    7   11   C2   O3   C3    119.939
   4    8   14  Nam   C3  Car    119.917
   7   11   15   O3   C3   C3    119.939
   7   11   16   O3   C3   C3    120.266
   7   11   17   O3   C3   C3    179.794
  15   11   16   C3   C3   C3    119.795
  15   11   17   C3   C3   C3     59.855
  16   11   17   C3   C3   C3     59.940
   1   12   20   C3   C3   C3    119.939
   2   13   21  Nam   C3   C3    119.944
   8   14   18   C3  Car  Car    120.140
   8   14   19   C3  Car  Car    119.917
  18   14   19  Car  Car  Car    119.944
  14   18   23  Car  Car  Car    119.944
  14   19   22  Car  Car  Car    120.118
  12   20   21   C3   C3   C3    120.118
  13   21   20   C3   C3   C3    119.944
  19   22   24  Car  Car  Car    119.939
  18   23   24  Car  Car  Car    120.118
  22   24   23  Car  Car  Car    119.939


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


CHIRAL ATOMS
  23   24   22   19      0.026