N-(3-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0507 |
| Compound Name: | N-(3-chlorophenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 460 |
| Molecular Formula: | C26 H22 Cl N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2333 |
| logD: | 7.2333 |
| logSw: | -6.4086 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | QIDBOTVPUGUVKX-RUZDIDTESA-N |