N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0867 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C25 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1175 |
| logD: | 5.1174 |
| logSw: | -4.9821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.773 |
| InChI Key: | YZEMSYJAPZXXBP-UHFFFAOYSA-N |