N-[2-(4-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0696 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 375.8 |
| Molecular Formula: | C15 H13 Cl F3 N3 O S |
| Smiles: | CSc1ncc(C(NCCc2ccc(cc2)[Cl])=O)c(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6659 |
| logD: | 3.6614 |
| logSw: | -4.2132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.079 |
| InChI Key: | SQTRGAHCAPAHQT-UHFFFAOYSA-N |