3-benzyl-6-{5-methyl-1-[3-(trifluoromethyl)phenyl]-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-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-benzyl-6-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D731-0394 |
| Compound Name: | 3-benzyl-6-{5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C20 H14 F3 N7 S |
| Smiles: | Cc1c(c2nn3c(Cc4ccccc4)nnc3s2)nnn1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8071 |
| logD: | 3.8071 |
| logSw: | -4.1331 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 61.541 |
| InChI Key: | YYQFJXHNKDMSNS-UHFFFAOYSA-N |