diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0785 |
| Compound Name: | diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 693.7 |
| Molecular Formula: | C30 H27 F4 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccccc2C(F)(F)F)=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8534 |
| logD: | 3.0694 |
| logSw: | -4.6411 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.825 |
| InChI Key: | KUMXCURZGHGNQX-UHFFFAOYSA-N |