2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)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-(3,5-dichlorophenyl)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-(3,5-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-8065 |
| 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-(3,5-dichlorophenyl)acetamide |
| Molecular Weight: | 427.31 |
| Molecular Formula: | C16 H16 Cl2 N6 O2 S |
| Smiles: | CC(C)(C)C1C(Nc2nnc(n2N=1)SCC(Nc1cc(cc(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0284 |
| logD: | 4.0186 |
| logSw: | -4.3963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.45 |
| InChI Key: | OZTHMIKLUQNTCW-UHFFFAOYSA-N |