N-(4-cyanophenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-(4-cyanophenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0828 |
| Compound Name: | N-(4-cyanophenyl)-2-{[1-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C25 H18 N6 O S |
| Smiles: | Cc1ccc(cc1)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9388 |
| logD: | 4.9384 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.714 |
| InChI Key: | XGDIFWNXWTWLFD-UHFFFAOYSA-N |