ethyl 1-(6-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(6-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxylate
ethyl 1-(6-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxylate
Compound characteristics
Compound ID: | C200-9552 |
Compound Name: | ethyl 1-(6-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxylate |
Molecular Weight: | 391.92 |
Molecular Formula: | C19 H22 Cl N3 O2 S |
Smiles: | CCOC(C1CCN(CC1)c1cc(ncn1)SCc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.6702 |
logD: | 4.67 |
logSw: | -4.799 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 42.807 |
InChI Key: | KNFLDCIXHKGETF-UHFFFAOYSA-N |