1-{[6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Chemical Structure Depiction of
1-{[6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
1-{[6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Compound characteristics
| Compound ID: | D064-0390 |
| Compound Name: | 1-{[6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C16 H10 F N7 S |
| Smiles: | C(c1nnc2n1nc(c1ccc(cc1)F)s2)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.1837 |
| logD: | 2.1826 |
| logSw: | -2.1959 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.395 |
| InChI Key: | GAFLGDWTDAGPGU-UHFFFAOYSA-N |