4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8014-8714 |
| Compound Name: | 4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | C1c2ccccc2n2cccc2C(c2cccc(c2)[N+]([O-])=O)N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4719 |
| logD: | 2.2181 |
| logSw: | -3.7136 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.426 |
| InChI Key: | ROSHMIXVPMKGBW-GOSISDBHSA-N |