4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
Chemical Structure Depiction of
4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile
Compound characteristics
| Compound ID: | Y500-3487 |
| Compound Name: | 4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzonitrile |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C24 H23 N3 O2 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(C#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6744 |
| logD: | 3.4446 |
| logSw: | -4.0105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.96 |
| InChI Key: | SQHXZZGWAVGZNX-QHCPKHFHSA-N |