dimethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,4-dicarboxylate
dimethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 6466-0870 |
| Compound Name: | dimethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,4-dicarboxylate |
| Molecular Weight: | 495.43 |
| Molecular Formula: | C21 H16 F3 N3 O6 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0303 |
| logD: | 3.9836 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.366 |
| InChI Key: | ACLIIJBCHHMOQY-UHFFFAOYSA-N |