2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
2-(4-chloro-3-methylphenoxy)-1-{4-[(pyridin-4-yl)methyl]piperazin-1-yl}ethan-1-one
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 |
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 |