2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D339-0547 |
| Compound Name: | 2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 424.37 |
| Molecular Formula: | C21 H26 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(N1CCN(CCc2ccncc2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7301 |
| logD: | 2.6768 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.806 |
| InChI Key: | XDLUZHXVVYHKTR-UHFFFAOYSA-N |