ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3993-1942 |
| Compound Name: | ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 562.67 |
| Molecular Formula: | C28 H26 N4 O5 S2 |
| Smiles: | CCOC(c1c(csc1NC(CSc1nnc2cc(C)c3ccccc3n12)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1456 |
| logD: | 5.1347 |
| logSw: | -5.1162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.769 |
| InChI Key: | MJTNCZKHINCBBA-UHFFFAOYSA-N |