2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D345-0055 |
| Compound Name: | 2-(4-chloro-3,5-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 438.4 |
| Molecular Formula: | C22 H28 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C(N1CCN(CCc2ccccn2)CC1)=O)Oc1cc(C)c(c(C)c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7323 |
| logD: | 3.6761 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.738 |
| InChI Key: | KDHOIXFMNXZEHZ-SFHVURJKSA-N |