2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8012-9066 |
| Compound Name: | 2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 476.43 |
| Molecular Formula: | C21 H15 F3 N4 O4 S |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.999 |
| logD: | 0.446 |
| logSw: | -4.2047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.068 |
| InChI Key: | ZLKXSYCTEBJSFG-UHFFFAOYSA-N |