methyl 4-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]benzoate
methyl 4-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F842-0497 |
| Compound Name: | methyl 4-[2-(1-oxo-4-phenoxy[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 469.46 |
| Molecular Formula: | C25 H19 N5 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C(C(=Nc3ccccc23)Oc2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7552 |
| logD: | 3.7551 |
| logSw: | -4.1873 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.088 |
| InChI Key: | FEDNRFYPWKGUCQ-UHFFFAOYSA-N |