N-[(4-methylphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[(4-methylphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0556 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C28 H27 N3 O S |
| Smiles: | Cc1ccc(CNC(N2Cc3ccccc3n3cccc3C2c2ccc(cc2)SC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6657 |
| logD: | 6.6657 |
| logSw: | -5.7361 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8932 |
| InChI Key: | CDAVKSSCXBCXPA-HHHXNRCGSA-N |