2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(4-methylphenyl)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-(4-methylphenyl)acetamide
2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7991 |
| 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-(4-methylphenyl)acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc2NC(C(Cc3ccccc3)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.126 |
| logD: | 3.1259 |
| logSw: | -3.4014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.082 |
| InChI Key: | AEHMRVGBGBIDRF-UHFFFAOYSA-N |