8,9-diethoxy-4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
8,9-diethoxy-4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
8,9-diethoxy-4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-2270 |
| Compound Name: | 8,9-diethoxy-4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 432.92 |
| Molecular Formula: | C23 H25 F N2 O3 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3ccc(c(c3)OC)F)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6955 |
| logD: | -0.6412 |
| logSw: | -3.9957 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.096 |
| InChI Key: | AGRIWUOLHCLZRR-HSZRJFAPSA-N |