ethyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
ethyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0547 |
| Compound Name: | ethyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 644.65 |
| Molecular Formula: | C26 H27 F3 N4 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(N)=O)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6135 |
| logD: | -1.3722 |
| logSw: | -3.259 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.87 |
| InChI Key: | FYHSWOCWZYZVNQ-UHFFFAOYSA-N |