AC1LQJQ1
3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: NCGC00164763-01|3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|1,2,3-trimethoxy-5-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene|3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|3-phenyl-5-[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1H-pyrazole
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.11612 g/mol |
| LogP | 3.9357 |
| Topological Polar Surface Area | 99.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.11612 |
| Monoisotopic Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1333.2334 |
Chemical Identifiers
| CAS Number | 714946-48-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
AC1LQJQ1 (CAS 714946-48-2), with molecular formula C21H18N6O3S and molecular weight 434.11612 g/mol. IUPAC: 3-(3-phenyl-1H-pyrazol-5-yl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
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