ethyl (4-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
Chemical Structure Depiction of
ethyl (4-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
ethyl (4-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | G118-1758 |
| Compound Name: | ethyl (4-{[4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}phenyl)acetate |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | CCc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1ccc(CC(=O)OCC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7463 |
| logD: | 6.7463 |
| logSw: | -5.7121 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.73 |
| InChI Key: | WFHOYKDYDYEJGA-SSEXGKCCSA-N |