5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0514 |
| Compound Name: | 5-chloro-N-[4-(difluoromethoxy)phenyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 373.81 |
| Molecular Formula: | C15 H14 Cl F2 N3 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1ccc(cc1)OC(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1565 |
| logD: | 4.1542 |
| logSw: | -4.1924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.52 |
| InChI Key: | MRKMQTWPEFWGNI-UHFFFAOYSA-N |