N-(5-chloro-2-methoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(5-chloro-2-methoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0520 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 490.02 |
| Molecular Formula: | C27 H24 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1287 |
| logD: | 7.1286 |
| logSw: | -6.3837 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.504 |
| InChI Key: | SGGKYYDFMDSFQL-AREMUKBSSA-N |