8,9-diethoxy-4-[4-(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
8,9-diethoxy-4-[4-(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
8,9-diethoxy-4-[4-(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-2269 |
| Compound Name: | 8,9-diethoxy-4-[4-(propan-2-yl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 426.99 |
| Molecular Formula: | C25 H30 N2 O2 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3ccc(cc3)C(C)C)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7913 |
| logD: | 0.9635 |
| logSw: | -4.4242 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4653 |
| InChI Key: | MWHHKSFSILTBPK-RUZDIDTESA-N |