N-(3-chloro-4-fluorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3-chloro-4-fluorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1506 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C27 H23 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2c2ccccc2CN1C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1532 |
| logD: | 6.1531 |
| logSw: | -6.2178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.832 |
| InChI Key: | MZHDTAKGTNBISR-AREMUKBSSA-N |