2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F417-0966 |
| Compound Name: | 2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nnc2C(N(CC(Nc3cccc(c3)SC)=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3878 |
| logD: | 4.3878 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.249 |
| InChI Key: | PSCGKLFLSRDGCF-UHFFFAOYSA-N |