4-(2,4-dimethylphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(2,4-dimethylphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-(2,4-dimethylphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8015-0096 |
| Compound Name: | 4-(2,4-dimethylphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 412.96 |
| Molecular Formula: | C24 H28 N2 O2 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3ccc(C)cc3C)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6309 |
| logD: | 1.019 |
| logSw: | -4.3077 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4653 |
| InChI Key: | QAFQNDBKFLYMCF-XMMPIXPASA-N |