N-(3-fluoro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3-fluoro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0540 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C27 H24 F N3 O S |
| Smiles: | Cc1ccc(cc1F)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1295 |
| logD: | 7.1295 |
| logSw: | -5.6352 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | ABRLNNHGWAZPSG-AREMUKBSSA-N |