N-(3,4-dichlorophenyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
N-(3,4-dichlorophenyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Compound characteristics
| Compound ID: | Y500-5489 |
| Compound Name: | N-(3,4-dichlorophenyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide |
| Molecular Weight: | 549.5 |
| Molecular Formula: | C30 H30 Cl2 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(C)C)N(C(Nc3ccc(c(c3)[Cl])[Cl])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5379 |
| logD: | 7.4351 |
| logSw: | -6.4362 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.79 |
| InChI Key: | QAGIXCRBQCTUHQ-NDEPHWFRSA-N |