N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0671 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C18 H12 F3 N3 O3 S2 |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7864 |
| logD: | 4.7864 |
| logSw: | -4.859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | KWVLNQHWVZKMSN-UHFFFAOYSA-N |