2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D339-0566 |
| Compound Name: | 2-[5-methyl-2-(propan-2-yl)phenoxy]-1-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 417.98 |
| Molecular Formula: | C23 H31 N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(C)cc1OCC(N1CCN(CCc2ccncc2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8808 |
| logD: | 2.8275 |
| logSw: | -2.8245 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.892 |
| InChI Key: | DIDDPPNTVBFNNP-UHFFFAOYSA-N |