methyl N-[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
methyl N-[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G118-2094 |
| Compound Name: | methyl N-[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | Cc1ccccc1C1c2cccn2c2ccccc2CN1C(NCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6122 |
| logD: | 4.6122 |
| logSw: | -4.1688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.585 |
| InChI Key: | CZZPFPCJSCIHPQ-HSZRJFAPSA-N |