ethyl 3-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
ethyl 3-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1747 |
| Compound Name: | ethyl 3-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C30 H29 N3 O3 |
| Smiles: | CCc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cccc(c1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4731 |
| logD: | 7.4731 |
| logSw: | -5.6192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.325 |
| InChI Key: | GVEGWTHSAIHPLW-MUUNZHRXSA-N |