N-(3,5-dimethylphenyl)-4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3,5-dimethylphenyl)-4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0442 |
| Compound Name: | N-(3,5-dimethylphenyl)-4-(4-ethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C29 H29 N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1cc(C)cc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8224 |
| logD: | 6.8224 |
| logSw: | -5.6032 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.695 |
| InChI Key: | JHJLLWKNELTSBM-MUUNZHRXSA-N |