N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0416 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | C1CSCCN1C1C2=NN(CC(Nc3ccc4c(c3)OCO4)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3518 |
| logD: | 2.3518 |
| logSw: | -2.9956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.024 |
| InChI Key: | OPVVXPHFXVPBAQ-UHFFFAOYSA-N |