AC1NFR3F
N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1269|(1S,3s)-N-((5-(methylthio)-4-(4-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-{[5-(methylsulfanyl)-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide|N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide|N-{[5-(methylthio)-4-[p-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}-1-adamantanecarboxamide
| Molecular Formula | C22H25F3N4OS |
|---|---|
| Molecular Weight | 450.1701 g/mol |
| LogP | 4.8406 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1701 |
| Monoisotopic Mass | 450.1701 |
| Heavy Atoms | 31 |
| Complexity | 950.34827 |
Chemical Identifiers
| CAS Number | 477302-40-2 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=C(C=C2)C(F)(F)F)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1NFR3F (CAS 477302-40-2), with molecular formula C22H25F3N4OS and molecular weight 450.1701 g/mol. IUPAC: N-[[5-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.