dimethyl 3-methyl-5-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D308-0206 |
| Compound Name: | dimethyl 3-methyl-5-{2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C21 H18 N4 O5 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSc2nnc3ccc4ccccc4n23)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2137 |
| logD: | 1.3655 |
| logSw: | -3.6039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.373 |
| InChI Key: | VJLJLSOPANIEHY-UHFFFAOYSA-N |