N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1856 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C28 H25 N3 O3 |
| Smiles: | Cc1cccc(c1)C1c2cccn2c2ccccc2CN1C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2711 |
| logD: | 5.2711 |
| logSw: | -5.1666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.394 |
| InChI Key: | XSRVJJGZXKQSAB-HHHXNRCGSA-N |