{4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}(phenyl)methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
{4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}(phenyl)methanone--hydrogen chloride (1/1)
{4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}(phenyl)methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3910-0404 |
| Compound Name: | {4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}(phenyl)methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C20 H23 N3 O5 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1CC(COc1ccc(cc1)[N+]([O-])=O)O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0435 |
| logD: | 2.0355 |
| logSw: | -2.2912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.927 |
| InChI Key: | CKVJRYAOCAWFFE-SFHVURJKSA-N |