AC1NLJVD
4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-2119|4-tert-butyl-N-{[4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide|4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide|4-(tert-butyl)-N-((4-(4-fluorophenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide
| Molecular Formula | C28H27FN4O2S |
|---|---|
| Molecular Weight | 502.18387 g/mol |
| LogP | 5.6089 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.18387 |
| Monoisotopic Mass | 502.18387 |
| Heavy Atoms | 36 |
| Complexity | 1345.3226 |
Chemical Identifiers
| CAS Number | 391917-91-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)C4=CC=CC=C4 |
Product Overview
AC1NLJVD (CAS 391917-91-2), with molecular formula C28H27FN4O2S and molecular weight 502.18387 g/mol. IUPAC: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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