diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0250 |
| Compound Name: | diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 679.82 |
| Molecular Formula: | C33 H37 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1c1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9543 |
| logD: | 3.1704 |
| logSw: | -4.7808 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.854 |
| InChI Key: | IWHKRVIHKYLXHE-UHFFFAOYSA-N |