3-benzyl-6-[1-(2-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D731-0390 |
| Compound Name: | 3-benzyl-6-[1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C21 H19 N7 O S |
| Smiles: | CCOc1ccccc1n1c(C)c(c2nn3c(Cc4ccccc4)nnc3s2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.2213 |
| logD: | 3.2213 |
| logSw: | -3.4012 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.45 |
| InChI Key: | LRYMTMJXZPCOAD-UHFFFAOYSA-N |