AC1N3PHA
4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-2993|4-butoxy-N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide|4-butoxy-N-{[4-(4-fluorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide|N-{[4-(p-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}p-butoxybenzamide
| Molecular Formula | C21H23FN4O2S |
|---|---|
| Molecular Weight | 414.1526 g/mol |
| LogP | 4.2372 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.1526 |
| Monoisotopic Mass | 414.1526 |
| Heavy Atoms | 29 |
| Complexity | 942.3199 |
Chemical Identifiers
| CAS Number | 391929-76-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SC |
Product Overview
AC1N3PHA (CAS 391929-76-3), with molecular formula C21H23FN4O2S and molecular weight 414.1526 g/mol. IUPAC: 4-butoxy-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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