methyl 4-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F989-0149 |
| Compound Name: | methyl 4-{2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | Cc1nnc2c(nc3ccccc3n12)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9153 |
| logD: | 2.9152 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.88 |
| InChI Key: | LTJSKICDFFPLRX-UHFFFAOYSA-N |