N-(adamantan-1-yl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(adamantan-1-yl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0549 |
| Compound Name: | N-(adamantan-1-yl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 483.68 |
| Molecular Formula: | C30 H33 N3 O S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4858 |
| logD: | 7.4858 |
| logSw: | -5.793 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5888 |
| InChI Key: | OAQBIHQYHUYRIZ-KRCUYCIMSA-N |