N-(4-bromophenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(4-bromophenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0954 |
| Compound Name: | N-(4-bromophenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 458.36 |
| Molecular Formula: | C25 H20 Br N3 O |
| Smiles: | C1c2ccccc2n2cccc2C(c2ccccc2)N1C(Nc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5986 |
| logD: | 6.5986 |
| logSw: | -6.0049 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.571 |
| InChI Key: | XYJXLVWRMQBECU-XMMPIXPASA-N |