AC1N4OZX
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: F0508-5301|N-((5-((4-bromobenzyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide|N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]thiophene-2-carboxamide|N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide|N-({5-[(p-bromophenyl)methylthio]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)-2-thenamide
| Molecular Formula | C22H16BrF3N4OS2 |
|---|---|
| Molecular Weight | 551.9901 g/mol |
| LogP | 6.3324 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 551.9901 |
| Monoisotopic Mass | 551.9901 |
| Heavy Atoms | 33 |
| Complexity | 1241.5219 |
Chemical Identifiers
| CAS Number | 393564-72-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)CNC(=O)C4=CC=CS4)C(F)(F)F |
Product Overview
AC1N4OZX (CAS 393564-72-2), with molecular formula C22H16BrF3N4OS2 and molecular weight 551.9901 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.