ethyl 4-{[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
ethyl 4-{[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | G118-0810 |
| Compound Name: | ethyl 4-{[(4-ethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]methyl}cyclohexane-1-carboxylate |
| Molecular Weight: | 423.56 |
| Molecular Formula: | C25 H33 N3 O3 |
| Smiles: | CCC1c2cccn2c2ccccc2CN1C(NCC1CCC(CC1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4726 |
| logD: | 5.4726 |
| logSw: | -5.4358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.063 |
| InChI Key: | VQZOCLKJMXCTLA-GRERDSQWSA-N |