ethyl 3-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D308-0028 |
| Compound Name: | ethyl 3-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2104 |
| logD: | 5.2104 |
| logSw: | -5.2958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.761 |
| InChI Key: | YQXREFMGPRPYIX-UHFFFAOYSA-N |