N-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1271 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C28 H27 N3 O4 |
| Smiles: | COc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2777 |
| logD: | 5.2777 |
| logSw: | -5.2105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.376 |
| InChI Key: | XYTLQBZWVAOJPW-HHHXNRCGSA-N |