N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0426 |
| Compound Name: | N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | C(c1ccccc1)NC(CN1C(N2C(C(=Nc3ccccc23)N2CCSCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0964 |
| logD: | 2.0964 |
| logSw: | -2.6019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.231 |
| InChI Key: | FOWUVHKJQKNUPN-UHFFFAOYSA-N |