ethyl 5-acetyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0428 |
| Compound Name: | ethyl 5-acetyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 613.63 |
| Molecular Formula: | C26 H26 F3 N3 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5714 |
| logD: | -0.1184 |
| logSw: | -4.0146 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.007 |
| InChI Key: | UKRHKGHYVZXLNY-UHFFFAOYSA-N |