2-{[6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | G856-7978 |
| Compound Name: | 2-{[6-(4-methoxyphenyl)-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: | 476.44 |
| Molecular Formula: | C20 H15 F3 N6 O3 S |
| Smiles: | COc1ccc(cc1)C1C(Nc2nnc(n2N=1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5818 |
| logD: | 3.5797 |
| logSw: | -3.9484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.722 |
| InChI Key: | ZYGGJKLUKSYHKL-UHFFFAOYSA-N |