ethyl {4-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]phenyl}acetate
ethyl {4-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]phenyl}acetate
Compound characteristics
| Compound ID: | G118-0778 |
| Compound Name: | ethyl {4-[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]phenyl}acetate |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CCC1c2cccn2c2ccccc2CN1C(Nc1ccc(CC(=O)OCC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9669 |
| logD: | 4.9669 |
| logSw: | -4.4184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.954 |
| InChI Key: | ZOZFCJYOEKUARC-NRFANRHFSA-N |