N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-4274 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 416.85 |
| Molecular Formula: | C17 H16 Cl F3 N4 O S |
| Smiles: | C1CCN(C1)c1ccnc(n1)SCC(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9911 |
| logD: | 4.9658 |
| logSw: | -5.1657 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.123 |
| InChI Key: | NVADUQXZWRYPCL-UHFFFAOYSA-N |