5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0302 |
| Compound Name: | 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 396.22 |
| Molecular Formula: | C14 H10 Cl2 F3 N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1ccc(c(c1)C(F)(F)F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3451 |
| logD: | 3.7303 |
| logSw: | -5.893 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | IUFUTESDPWOYMQ-UHFFFAOYSA-N |