methyl 4-{2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
methyl 4-{2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F417-0982 |
| Compound Name: | methyl 4-{2-[1-(4-methylphenyl)-4-oxo[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C26 H21 N5 O4 |
| Smiles: | Cc1ccc(cc1)c1nnc2C(N(CC(Nc3ccc(cc3)C(=O)OC)=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0176 |
| logD: | 4.0175 |
| logSw: | -4.1966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.423 |
| InChI Key: | FGKOAIWECIDKBY-UHFFFAOYSA-N |