N-(5-chloro-2-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(5-chloro-2-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0525 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 474.02 |
| Molecular Formula: | C27 H24 Cl N3 O S |
| Smiles: | Cc1ccc(cc1NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3329 |
| logD: | 7.3329 |
| logSw: | -6.3537 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8732 |
| InChI Key: | APWIARNISJZQRE-AREMUKBSSA-N |