N-(3,5-dimethoxyphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3,5-dimethoxyphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0967 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | COc1cc(cc(c1)OC)NC(N1Cc2ccccc2n2cccc2C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9038 |
| logD: | 5.9038 |
| logSw: | -5.4664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.659 |
| InChI Key: | KPESTZWBTJYPIU-AREMUKBSSA-N |