5-chloro-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
5-chloro-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | Y070-0887 |
| Compound Name: | 5-chloro-2-(methylsulfanyl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 347.74 |
| Molecular Formula: | C13 H9 Cl F3 N3 O S |
| Smiles: | CSc1ncc(c(C(Nc2cccc(c2)C(F)(F)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3826 |
| logD: | 4.1674 |
| logSw: | -4.5487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | VBOKZKYIVMJVKN-UHFFFAOYSA-N |