dimethyl 5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C071-0546 |
| Compound Name: | dimethyl 5-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 645.63 |
| Molecular Formula: | C26 H26 F3 N3 O9 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccc(c(c2)OC)OC)(=O)=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3377 |
| logD: | 0.3776 |
| logSw: | -3.9222 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.405 |
| InChI Key: | QHMROTWSBBYUJD-UHFFFAOYSA-N |