ethyl 5-acetyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0545 |
| Compound Name: | ethyl 5-acetyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 643.66 |
| Molecular Formula: | C27 H28 F3 N3 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5367 |
| logD: | -0.153 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.637 |
| InChI Key: | AGFAKXKITPJPTL-UHFFFAOYSA-N |