3-benzyl-6-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-benzyl-6-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-benzyl-6-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D731-0392 |
Compound Name: | 3-benzyl-6-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 403.46 |
Molecular Formula: | C20 H17 N7 O S |
Smiles: | Cc1c(c2nn3c(Cc4ccccc4)nnc3s2)nnn1c1ccccc1OC |
Stereo: | ACHIRAL |
logP: | 2.7581 |
logD: | 2.7581 |
logSw: | -3.0756 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 68.87 |
InChI Key: | NUFKNBOUTZIGSL-UHFFFAOYSA-N |