N-(3,4-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3,4-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0519 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0147 |
| logD: | 6.0147 |
| logSw: | -5.5186 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.832 |
| InChI Key: | WCTPKIYYIALYSC-HHHXNRCGSA-N |