methyl 3-{2-[4-(4-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[4-(4-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[4-(4-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F842-0232 |
| Compound Name: | methyl 3-{2-[4-(4-methylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C24 H19 N5 O5 S |
| Smiles: | Cc1ccc(cc1)OC1C2=NN(CC(Nc3ccsc3C(=O)OC)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5347 |
| logD: | 3.5261 |
| logSw: | -3.8741 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.409 |
| InChI Key: | HUBSSAGFAWKGCC-UHFFFAOYSA-N |