AC1M0R2B
3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole|3-((2,6-difluorobenzyl)thio)-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole|1-{5-[(2,6-difluorophenyl)methylthio]-3-(2-fluorophenyl)(1,2,4-triazol-4-yl)}- 4-methoxybenzene|3-[(2,6-difluorobenzyl)sulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
| Molecular Formula | C22H16F3N3OS |
|---|---|
| Molecular Weight | 427.09662 g/mol |
| LogP | 5.6525 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.09662 |
| Monoisotopic Mass | 427.09662 |
| Heavy Atoms | 30 |
| Complexity | 1158.4738 |
Chemical Identifiers
| CAS Number | 896591-99-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)C4=CC=CC=C4F |
Product Overview
AC1M0R2B (CAS 896591-99-4), with molecular formula C22H16F3N3OS and molecular weight 427.09662 g/mol. IUPAC: 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazole.
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