N-[(furan-2-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[(furan-2-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0562 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | CSc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.993 |
| logD: | 5.993 |
| logSw: | -5.5919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.642 |
| InChI Key: | ZZPZUCWROPSGHP-XMMPIXPASA-N |