2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C716-0638 |
| Compound Name: | 2-{[5-(3-chloro-4-methoxybenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 533.93 |
| Molecular Formula: | C20 H15 Cl F3 N3 O5 S2 |
| Smiles: | COc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(Nc1ccccc1C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6747 |
| logD: | 1.033 |
| logSw: | -3.5758 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.073 |
| InChI Key: | BRQFDBXSOXQNIZ-UHFFFAOYSA-N |