AC1N5APA
N-[[4-(2-ethyl-6-methylphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0528-0887|N-{[4-(2-ethyl-6-methylphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide|N-((4-(2-ethyl-6-methylphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide|N-[[4-(2-ethyl-6-methylphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C27H27FN4O2S |
|---|---|
| Molecular Weight | 490.18387 g/mol |
| LogP | 5.50812 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.18387 |
| Monoisotopic Mass | 490.18387 |
| Heavy Atoms | 35 |
| Complexity | 1321.2682 |
Chemical Identifiers
| CAS Number | 476451-67-9 |
|---|---|
| SMILES | CCC1=CC=CC(=C1N2C(=NN=C2SCC3=CC(=CC=C3)F)CNC(=O)C4=CC=C(C=C4)OC)C |
Product Overview
AC1N5APA (CAS 476451-67-9), with molecular formula C27H27FN4O2S and molecular weight 490.18387 g/mol. IUPAC: N-[[4-(2-ethyl-6-methylphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
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