ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D308-0270 |
| Compound Name: | ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1nnc2cc(C)c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2325 |
| logD: | 4.2195 |
| logSw: | -4.071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.287 |
| InChI Key: | DBKGFJWIUXQQMN-UHFFFAOYSA-N |