Sign In Join Free

Products Information

2-Benzyl-1-oxo-2,6-diaza-spiro[3.5]
2-Benzyl-1-oxo-2,6-diaza-spiro[3.5]
ID: BP-11715
Supplier:BroadPharm

Get a quote


SMILES:C12(C(=O)N(C1)Cc1ccccc1)CN(C(=O)OC(C)(C)C)CCC2	
FORMULA: C19H26N2O3
MASS: 330.4213
EXACT MASS: 330.1943427
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8512     0.0000 
   C   3    0.6044     0.6033     0.0000 
   C   4    1.6388     2.4130     1.8852     0.0000 
   N   5    1.0378     1.8245     1.3267     0.6010     0.0000 
   C   6    0.6004     0.5994     0.8512     2.2250     1.6259     0.0000 
   C   7    0.6000     1.2627     0.7317     1.1579     0.5975     1.1898 
   O   8    2.0093     2.6785     2.0954     0.6011     1.0417     2.6097 
   C   9    1.4466     0.5954     1.1059     2.9791     2.4006     1.1050 
   O  10    2.0064     2.8368     2.3651     0.6000     1.0398     2.5457 
   O  11    1.1117     1.1096     0.5975     1.8564     1.4180     1.4487 
   C  12    2.5904     3.2755     2.6926     1.0375     1.5869     3.1901 
   C  13    0.5975     1.2604     1.1917     1.7468     1.2000     0.7305 
   C  14    1.1985     2.0497     1.6799     0.8500     0.6010     1.6794 
   C  15    1.8211     1.0333     1.3230     3.1784     2.6435     1.6199 
   C  16    1.0375     1.8252     1.6285     1.4379     1.0398     1.3287 
   C  17    2.8373     3.5992     3.0480     1.1985     1.7995     3.4216 
   C  18    2.4682     3.0384     2.4365     1.1965     1.5861     3.0611 
   C  19    3.0237     3.6279     3.0278     1.5870     2.0792     3.6219 
   C  20    1.7794     1.1949     1.1876     2.8718     2.3996     1.7802 
   C  21    2.4036     1.5829     1.9232     3.7771     3.2446     2.1384 
   C  22    2.8444     2.0750     2.3043     4.0716     3.5832     2.6587 
   C  23    2.3404     1.7960     1.7375     3.2491     2.8404     2.3796 
   C  24    2.8179     2.1600     2.2293     3.8371     3.4072     2.7593 

              C   7      O   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.4378     0.0000 
   C   9    1.8214     3.1977     0.0000 
   O  10    1.6373     1.0399     3.4235     0.0000 
   O  11    0.8865     1.8880     1.4442     2.4179     0.0000 
   C  12    2.0298     0.5974     3.7941     1.1985     2.4638     0.0000 
   C  13    1.0378     2.2417     1.8202     1.9419     1.7061     2.7746 
   C  14    1.0375     1.4392     2.6451     0.9042     1.9223     1.8714 
   C  15    2.0461     3.2915     0.5953     3.6834     1.4134     3.8741 
   C  16    1.1985     2.0103     2.4024     1.4705     2.0360     2.4682 
   C  17    2.3367     1.0377     4.1522     1.0375     2.9104     0.6000 
   C  18    1.8714     0.5953     3.5046     1.5832     2.0974     0.5959 
   C  19    2.4347     1.0375     4.1020     1.7996     2.6962     0.6011 
   C  20    1.8211     2.8903     1.0341     3.4223     1.0187     3.4509 
   C  21    2.6472     3.8728     1.0375     4.2845     1.9858     4.4492 
   C  22    2.9935     4.0847     1.5861     4.6144     2.2208     4.6351 
   C  23    2.2951     3.1683     1.5831     3.8271     1.4225     3.6872 
   C  24    2.8444     3.7689     1.7974     4.4089     1.9929     4.2877 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0398     0.0000 
   C  15    2.2909     2.9895     0.0000 
   C  16    0.6010     0.6000     2.8403     0.0000 
   C  17    2.9014     1.8966     4.2981     2.4874     0.0000 
   C  18    2.7741     2.0298     3.5043     2.5904     1.1959     0.0000 
   C  19    3.2792     2.4355     4.1014     3.0244     1.0399     0.5991 
   C  20    2.3363     2.8403     0.6000     2.8137     3.9209     3.0298 
   C  21    2.8404     3.5832     0.6011     3.4072     4.8873     4.0554 
   C  22    3.3315     3.9841     1.0417     3.8734     5.1185     4.1850 
   C  23    2.9134     3.3315     1.0399     3.3629     4.2054     3.2010 
   C  24    3.3629     3.8734     1.2021     3.8540     4.8062     3.7966 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.6189     0.0000 
   C  21    4.6485     1.0399     0.0000 
   C  22    4.7615     1.2021     0.6010     0.0000 
   C  23    3.7627     0.6011     1.2000     1.0398     0.0000 
   C  24    4.3528     1.0417     1.0398     0.6000     0.6010     0.0000 




ATOMIC CHARGES
   C   1    0.1055829787
   N   2   -0.2748161498
   C   3    0.2282209660
   C   4    0.4046540648
   N   5   -0.2454849107
   C   6    0.1039143666
   C   7    0.1069097285
   O   8   -0.4417879925
   C   9    0.1201286476
   O  10   -0.2261969200
   O  11   -0.2747669759
   C  12    0.1378299074
   C  13    0.0137420120
   C  14    0.0967516298
   C  15   -0.0023353500
   C  16    0.0222100701
   C  17    0.0437415187
   C  18    0.0437415187
   C  19    0.0437415187
   C  20   -0.0026119947
   C  21   -0.0026119947
   C  22   -0.0002689825
   C  23   -0.0002689825
   C  24   -0.0000186745


BOND ANGLES
   3    1    6   C2   C3   C3     89.898
   3    1    7   C2   C3   C3     74.816
   3    1   13   C2   C3   C3    165.044
   6    1    7   C3   C3   C3    164.714
   6    1   13   C3   C3   C3     75.146
   7    1   13   C3   C3   C3    120.140
   6    2    9   C3  Nam   C3    135.302
   3    2    6   C2  Nam   C3     90.100
   3    2    9   C2  Nam   C3    134.598
   1    3   11   C3   C2   O2    135.323
   1    3    2   C3   C2  Nam     89.624
   2    3   11  Nam   C2   O2    135.052
   5    4    8  Nam   C2   O3    120.118
   5    4   10  Nam   C2   O2    119.944
   8    4   10   O3   C2   O2    119.939
   4    5    7   C2  Nam   C3    150.083
   4    5   14   C2  Nam   C3     90.000
   7    5   14   C3  Nam   C3    119.917
   1    6    2   C3   C3  Nam     90.378
   1    7    5   C3   C3  Nam    120.140
   4    8   12   C2   O3   C3    119.917
   2    9   15  Nam   C3  Car    120.415
   8   12   17   O3   C3   C3    120.145
   8   12   18   O3   C3   C3     59.855
   8   12   19   O3   C3   C3    119.917
  17   12   18   C3   C3   C3    179.974
  17   12   19   C3   C3   C3    119.939
  18   12   19   C3   C3   C3     60.061
   1   13   16   C3   C3   C3    119.917
   5   14   16  Nam   C3   C3    119.944
   9   15   20   C3  Car  Car    119.795
   9   15   21   C3  Car  Car    120.266
  20   15   21  Car  Car  Car    119.939
  13   16   14   C3   C3   C3    119.944
  15   20   23  Car  Car  Car    119.939
  15   21   22  Car  Car  Car    120.118
  21   22   24  Car  Car  Car    119.944
  20   23   24  Car  Car  Car    120.118
  22   24   23  Car  Car  Car    119.944


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


CHIRAL ATOMS
  22   24   23   20      0.026