methyl N-{4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
methyl N-{4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | G118-0554 |
| Compound Name: | methyl N-{4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | COC(CCNC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9006 |
| logD: | 4.9006 |
| logSw: | -4.4505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.585 |
| InChI Key: | BBVNJGQUAQZMBB-HSZRJFAPSA-N |