2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)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-(3-chlorophenyl)acetamide
2-[(6-benzyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Compound characteristics
Compound ID: | G856-7996 |
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-(3-chlorophenyl)acetamide |
Molecular Weight: | 426.88 |
Molecular Formula: | C19 H15 Cl N6 O2 S |
Smiles: | C(C1C(Nc2nnc(n2N=1)SCC(Nc1cccc(c1)[Cl])=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.4562 |
logD: | 3.4561 |
logSw: | -3.8533 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.082 |
InChI Key: | MTEIRQYETLSGAG-UHFFFAOYSA-N |