N-[(3-chlorophenyl)methyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-[(3-chlorophenyl)methyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0655 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 361.77 |
| Molecular Formula: | C14 H11 Cl F3 N3 O S |
| Smiles: | CSc1ncc(C(NCc2cccc(c2)[Cl])=O)c(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.835 |
| logD: | 3.7395 |
| logSw: | -4.2924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.237 |
| InChI Key: | WRNIZSHIKXGURE-UHFFFAOYSA-N |