ethyl 4-carbamoyl-5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-carbamoyl-5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2-carboxylate
ethyl 4-carbamoyl-5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | C071-0550 |
| Compound Name: | ethyl 4-carbamoyl-5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 644.65 |
| Molecular Formula: | C26 H27 F3 N4 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(N)=O)c(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccc(c(c2)OC)OC)(=O)=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9944 |
| logD: | 1.0529 |
| logSw: | -2.9491 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.87 |
| InChI Key: | XNZFOOAZBTVODF-UHFFFAOYSA-N |