N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-1103 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.46 |
| Molecular Formula: | C22 H18 F3 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6429 |
| logD: | 4.6428 |
| logSw: | -4.5114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.514 |
| InChI Key: | XKRZMFYVKQHCQZ-UHFFFAOYSA-N |