2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)acetamide
2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7999 |
| 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-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc2NC(C(Cc3ccccc3)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8873 |
| logD: | 2.8872 |
| logSw: | -3.1039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.686 |
| InChI Key: | MWZOLEQEQAUOIE-UHFFFAOYSA-N |