AC1MYAE4
4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(2-fluorophenoxymethyl)-4H-1,2,4-triazole-3-thiol|AB00713327-01|4-(1-Bicyclo[2.2.1]hept-2-yl-ethyl)-5-(2-fluoro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol|4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-[(2-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol|4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione|4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione|4-[1-(6-bicyclo[2.2.1]heptyl)ethyl]-5-[(2-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C18H22FN3OS |
|---|---|
| Molecular Weight | 347.14676 g/mol |
| LogP | 4.65599 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.14676 |
| Monoisotopic Mass | 347.14676 |
| Heavy Atoms | 24 |
| Complexity | 786.5662 |
Chemical Identifiers
| CAS Number | 1005159-77-2 |
|---|---|
| SMILES | CC(C1CC2CCC1C2)N3C(=NNC3=S)COC4=CC=CC=C4F |
Product Overview
AC1MYAE4 (CAS 1005159-77-2), with molecular formula C18H22FN3OS and molecular weight 347.14676 g/mol. IUPAC: 4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(2-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.