AC1NY8BQ
3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413211|(E)-3-(tert-butyl)-6-(4-methoxystyryl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole|3-TERT-BUTYL-6-[(1E)-2-(4-METHOXYPHENYL)ETHENYL]-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE|3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12012 g/mol |
| LogP | 3.6623 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12012 |
| Monoisotopic Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 808.89874 |
Chemical Identifiers
| CAS Number | 876887-01-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C2N1N=C(S2)/C=C/C3=CC=C(C=C3)OC |
Product Overview
AC1NY8BQ (CAS 876887-01-3), with molecular formula C16H18N4OS and molecular weight 314.12012 g/mol. IUPAC: 3-tert-butyl-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
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