diethyl 5-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0507 |
| Compound Name: | diethyl 5-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 627.7 |
| Molecular Formula: | C28 H29 N5 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.087 |
| logD: | 1.3031 |
| logSw: | -3.4586 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.732 |
| InChI Key: | JHVUIZCEQUQFAB-UHFFFAOYSA-N |