N-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | C800-0559 |
| Compound Name: | N-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C28 H27 N3 O2 |
| Smiles: | Cc1ccc(cc1C)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7302 |
| logD: | 6.7302 |
| logSw: | -5.6113 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.115 |
| InChI Key: | SFSHPYDVHUJKFJ-HHHXNRCGSA-N |