dimethyl 5-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D278-0689 |
| Compound Name: | dimethyl 5-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | Cc1cc2nnc(n2c2c(C)cccc12)SCC(Nc1c(C(=O)OC)c(C)c(C(=O)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1863 |
| logD: | 2.3381 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.149 |
| InChI Key: | OEPGQIFDXOKNGW-UHFFFAOYSA-N |