methyl 3-{[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-0491 |
| Compound Name: | methyl 3-{[4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C29 H27 N3 O4 |
| Smiles: | CCOc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4007 |
| logD: | 6.4007 |
| logSw: | -5.6846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.868 |
| InChI Key: | ZEAPGXZYMDEOAI-HHHXNRCGSA-N |