N-(4-bromo-2-fluorophenyl)-4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(4-bromo-2-fluorophenyl)-4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0685 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-(propan-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 442.33 |
| Molecular Formula: | C22 H21 Br F N3 O |
| Smiles: | CC(C)C1c2cccn2c2ccccc2CN1C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3157 |
| logD: | 6.3156 |
| logSw: | -5.412 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1448 |
| InChI Key: | NETPCUOXOLGFMV-NRFANRHFSA-N |