AC1N48MH
N-[[5-benzylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: F0528-1309|(1S,3s)-N-((5-(benzylthio)-4-(4-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide|N-[[5-benzylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide|N-{[5-(benzylsulfanyl)-4-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
| Molecular Formula | C28H29F3N4OS |
|---|---|
| Molecular Weight | 526.2014 g/mol |
| LogP | 6.411 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.2014 |
| Monoisotopic Mass | 526.2014 |
| Heavy Atoms | 37 |
| Complexity | 1237.5452 |
Chemical Identifiers
| CAS Number | 477302-80-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=C(C=C5)C(F)(F)F)SCC6=CC=CC=C6 |
Product Overview
AC1N48MH (CAS 477302-80-0), with molecular formula C28H29F3N4OS and molecular weight 526.2014 g/mol. IUPAC: N-[[5-benzylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
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