5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0456A |
| Compound Name: | 5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 345.75 |
| Molecular Formula: | C13 H10 Cl F2 N3 O2 S |
| Smiles: | CSc1ncc(c(C(Nc2ccc(cc2)OC(F)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4247 |
| logD: | 3.4224 |
| logSw: | -3.7894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.52 |
| InChI Key: | SIHMSUIGGDQMJQ-UHFFFAOYSA-N |