ethyl 3-{[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
ethyl 3-{[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-2058 |
| Compound Name: | ethyl 3-{[4-(2-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C29 H27 N3 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9733 |
| logD: | 6.9733 |
| logSw: | -5.62 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.325 |
| InChI Key: | GKRKEDGARGDMMK-HHHXNRCGSA-N |