N-(4-bromo-3-methylphenyl)-4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(4-bromo-3-methylphenyl)-4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0880 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 410.31 |
| Molecular Formula: | C21 H20 Br N3 O |
| Smiles: | CC1c2cccn2c2ccccc2CN1C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4514 |
| logD: | 5.4514 |
| logSw: | -5.3445 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.4336 |
| InChI Key: | XZCSVGDKVZSYAH-HNNXBMFYSA-N |