7-benzoyl-3,3-dimethyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-benzoyl-3,3-dimethyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-benzoyl-3,3-dimethyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3805-1540 |
| Compound Name: | 7-benzoyl-3,3-dimethyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C29 H28 N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)SC)Nc3ccc(cc3N2)C(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3548 |
| logD: | 6.3058 |
| logSw: | -5.6454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.215 |
| InChI Key: | WRHWVTLMQLHNSV-MHZLTWQESA-N |