2-ethyl 4-methyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-ethyl 4-methyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
2-ethyl 4-methyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 6466-0782 |
| Compound Name: | 2-ethyl 4-methyl 3-methyl-5-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C21 H18 F3 N3 O5 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OC)c(NC(CSc2nc(cc(C(F)(F)F)n2)c2cccs2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1308 |
| logD: | 3.2827 |
| logSw: | -5.0903 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.878 |
| InChI Key: | CERPNZIMQMAKMV-UHFFFAOYSA-N |