2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
Compound ID: | 6466-0685 |
Compound Name: | 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
Molecular Weight: | 485.5 |
Molecular Formula: | C20 H18 F3 N3 O4 S2 |
Smiles: | COc1cc(cc(c1OC)OC)NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 4.3339 |
logD: | 4.3335 |
logSw: | -4.3484 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.134 |
InChI Key: | IUWXXTCWTLRPGM-UHFFFAOYSA-N |