methyl 2-{2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
methyl 2-{2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F844-0152 |
| Compound Name: | methyl 2-{2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(N2C(C(=Nc3ccccc23)N2CCCC2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5649 |
| logD: | 2.5608 |
| logSw: | -3.2112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.751 |
| InChI Key: | YZCFXSKBGYXYPJ-UHFFFAOYSA-N |