8,9-diethoxy-4-(4-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
8,9-diethoxy-4-(4-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
8,9-diethoxy-4-(4-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-1562 |
| Compound Name: | 8,9-diethoxy-4-(4-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C22 H23 N3 O4 |
| Salt: | HCl |
| Smiles: | CCOc1cc2CNC(c3ccc(cc3)[N+]([O-])=O)c3cccn3c2cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3788 |
| logD: | 0.2477 |
| logSw: | -3.6107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.847 |
| InChI Key: | ZIOXKFPYSIVBGL-JOCHJYFZSA-N |