2-(4-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(4-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D339-0524 |
| Compound Name: | 2-(4-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 406.87 |
| Molecular Formula: | C19 H22 N4 O4 |
| Salt: | HCl |
| Smiles: | C(CN1CCN(CC1)C(COc1ccc(cc1)[N+]([O-])=O)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0249 |
| logD: | 0.9716 |
| logSw: | -1.522 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.187 |
| InChI Key: | HBDFXFIMQDCZQF-UHFFFAOYSA-N |