methyl N-{4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
methyl N-{4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | G118-0626 |
| Compound Name: | methyl N-{4-[4-(propan-2-yl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl}-beta-alaninate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5195 |
| logD: | 5.5195 |
| logSw: | -5.3665 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.585 |
| InChI Key: | PBTAFBPBXVUANT-RUZDIDTESA-N |