1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chloro-3,5-dimethylphenoxy)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chloro-3,5-dimethylphenoxy)ethan-1-one--hydrogen chloride (1/1)
1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chloro-3,5-dimethylphenoxy)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D185-0617 |
| Compound Name: | 1-{2-[2-(azepan-1-yl)ethyl]piperidin-1-yl}-2-(4-chloro-3,5-dimethylphenoxy)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C23 H35 Cl N2 O2 |
| Salt: | HCl |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(N1CCCCC1CCN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2651 |
| logD: | 3.4466 |
| logSw: | -5.7247 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.5467 |
| InChI Key: | QEKNDGZMTJBXMH-HXUWFJFHSA-N |