2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D653-0052 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 396.32 |
| Molecular Formula: | C19 H22 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1cc(ccc1[Cl])OCC(N1CCN(CC1)Cc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1222 |
| logD: | 2.0978 |
| logSw: | -2.8887 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.827 |
| InChI Key: | MRBSHUDQUJSKQO-UHFFFAOYSA-N |