N-(3-cyanophenyl)-2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
N-(3-cyanophenyl)-2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F417-0978 |
| Compound Name: | N-(3-cyanophenyl)-2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide |
| Molecular Weight: | 434.46 |
| Molecular Formula: | C25 H18 N6 O2 |
| Smiles: | Cc1ccc(cc1)c1nnc2C(N(CC(Nc3cccc(C#N)c3)=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7879 |
| logD: | 3.7877 |
| logSw: | -3.9791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.306 |
| InChI Key: | PKWRHDCKSPYSHO-UHFFFAOYSA-N |