AC1N5UCJ
3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole|3-((4-chlorophenoxy)methyl)-5-((2-fluorobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole|3-(4-chlorophenoxymethyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole|3-[(4-chlorophenoxy)methyl]-5-[(2-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole|4-chloro-1-({5-[(2-fluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol- 3-yl)}methoxy)benzene
| Molecular Formula | C23H19ClFN3O2S |
|---|---|
| Molecular Weight | 455.08707 g/mol |
| LogP | 5.9397 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08707 |
| Monoisotopic Mass | 455.08707 |
| Heavy Atoms | 31 |
| Complexity | 1150.4626 |
Chemical Identifiers
| CAS Number | 861111-67-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3F)COC4=CC=C(C=C4)Cl |
Product Overview
AC1N5UCJ (CAS 861111-67-3), with molecular formula C23H19ClFN3O2S and molecular weight 455.08707 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole.
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