2-(2-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(2-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(2-nitrophenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D339-0512 |
| Compound Name: | 2-(2-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(COc1ccccc1[N+]([O-])=O)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 0.806 |
| logD: | 0.7527 |
| logSw: | -1.2005 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.973 |
| InChI Key: | WYYQOWAAVISPMH-UHFFFAOYSA-N |