2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-8056 |
| Compound Name: | 2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C17 H17 F3 N6 O2 S |
| Smiles: | CC(C)(C)C1C(Nc2nnc(n2N=1)SCC(Nc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3707 |
| logD: | 3.3706 |
| logSw: | -3.6588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.45 |
| InChI Key: | OLDNUPKOQGQFPE-UHFFFAOYSA-N |