2-(2,3-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(2,3-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
2-(2,3-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D345-0059 |
| Compound Name: | 2-(2,3-dimethylphenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 403.95 |
| Molecular Formula: | C22 H29 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C(N1CCN(CCc2ccccn2)CC1)=O)Oc1cccc(C)c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0676 |
| logD: | 3.0114 |
| logSw: | -3.0674 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.824 |
| InChI Key: | XMVQKNBWWHJEEO-IBGZPJMESA-N |