methyl 3-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]thiophene-2-carboxylate
methyl 3-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F842-0580 |
| Compound Name: | methyl 3-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 475.48 |
| Molecular Formula: | C23 H17 N5 O5 S |
| Smiles: | COC(c1c(ccs1)NC(CN1C(N2C(C(=Nc3ccccc23)Oc2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0828 |
| logD: | 3.0742 |
| logSw: | -3.4948 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.409 |
| InChI Key: | QPQLEFWMPAMKFR-UHFFFAOYSA-N |