methyl N-[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
methyl N-[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G118-0479 |
| Compound Name: | methyl N-[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | CCOc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(NCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5503 |
| logD: | 4.5503 |
| logSw: | -4.0978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.709 |
| InChI Key: | GNPODSUXNWJJGP-XMMPIXPASA-N |