dimethyl 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | C071-0429 |
| Compound Name: | dimethyl 5-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 615.6 |
| Molecular Formula: | C25 H24 F3 N3 O8 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccccc2OC)(=O)=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3723 |
| logD: | 0.4123 |
| logSw: | -3.9887 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.774 |
| InChI Key: | IXCIJINOPABYHI-UHFFFAOYSA-N |