2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-7994 |
| Compound Name: | 2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C20 H15 F3 N6 O2 S |
| Smiles: | C(C1C(Nc2nnc(n2N=1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7459 |
| logD: | 3.7455 |
| logSw: | -4.1597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.082 |
| InChI Key: | NWVIQAXLTBLMHG-UHFFFAOYSA-N |