2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | M459-2913 |
Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 444.9 |
Molecular Formula: | C19 H20 Cl F3 N4 O S |
Smiles: | C1CCCN(CC1)c1ccnc(n1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 5.5401 |
logD: | 5.5093 |
logSw: | -6.0575 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.391 |
InChI Key: | QWOAGHXNOXXCEN-UHFFFAOYSA-N |