N-(2-fluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2-fluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0546 |
| Compound Name: | N-(2-fluorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 443.54 |
| Molecular Formula: | C26 H22 F N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6559 |
| logD: | 6.6559 |
| logSw: | -5.7454 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.8732 |
| InChI Key: | IZEPDNYOMYEULB-RUZDIDTESA-N |