N-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0542 |
| Compound Name: | N-(2,5-difluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 461.53 |
| Molecular Formula: | C26 H21 F2 N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cc(ccc1F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0431 |
| logD: | 7.043 |
| logSw: | -5.6648 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8732 |
| InChI Key: | MGRFOCJFHCHKKG-RUZDIDTESA-N |