methyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F989-0268 |
| Compound Name: | methyl 2-{2-[(1-ethyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | CCc1nnc2c(nc3ccccc3n12)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1793 |
| logD: | 3.1628 |
| logSw: | -3.5123 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.382 |
| InChI Key: | UGCMRPRGSIQQIO-UHFFFAOYSA-N |