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 |