N-(3-methylbutyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3-methylbutyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0575 |
| Compound Name: | N-(3-methylbutyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C25 H29 N3 O S |
| Smiles: | CC(C)CCNC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7518 |
| logD: | 6.7518 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0062 |
| InChI Key: | LNKKJOGQJKCNOC-XMMPIXPASA-N |