diethyl 5-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0210 |
| Compound Name: | diethyl 5-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C26 H31 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4487 |
| logD: | 0.5742 |
| logSw: | -2.7417 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.493 |
| InChI Key: | DBGHZYMSTCFEER-UHFFFAOYSA-N |