N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 7213-0063 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 433.41 |
| Molecular Formula: | C20 H14 F3 N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nc(cc(C(F)(F)F)n1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0372 |
| logD: | 5.0372 |
| logSw: | -4.9484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.253 |
| InChI Key: | FNMQRULVHZKKAK-UHFFFAOYSA-N |