ethyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F989-0269 |
| Compound Name: | ethyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | CCc1nnc2c(nc3ccccc3n12)SCC(Nc1ccccc1C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.723 |
| logD: | 3.7065 |
| logSw: | -3.9193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.962 |
| InChI Key: | MVWISDARUFJICH-UHFFFAOYSA-N |