2-ethyl 4-(propan-2-yl) 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-ethyl 4-(propan-2-yl) 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
2-ethyl 4-(propan-2-yl) 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C071-0432 |
| Compound Name: | 2-ethyl 4-(propan-2-yl) 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 657.68 |
| Molecular Formula: | C28 H30 F3 N3 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OC(C)C)c(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccccc2OC)(=O)=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6845 |
| logD: | 1.7245 |
| logSw: | -4.5957 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.613 |
| InChI Key: | LHQRJSKPUZJGDO-UHFFFAOYSA-N |