3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-1-benzopyran-4-one
3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8014-2327 |
| Compound Name: | 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C25 H24 N2 O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(C3=COc4ccccc4C3=O)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2148 |
| logD: | 2.1126 |
| logSw: | -3.6675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.358 |
| InChI Key: | TYSGOOQFEPLJAB-XMMPIXPASA-N |