AC1NNX8Y
4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: Oprea1_357237|4-(tert-butyl)-N-((4-(2-methoxyphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|F0507-2075|4-tert-butyl-N-{[4-(2-methoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide|4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide|N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide
| Molecular Formula | C29H30N4O3S |
|---|---|
| Molecular Weight | 514.20386 g/mol |
| LogP | 5.4784 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.20386 |
| Monoisotopic Mass | 514.20386 |
| Heavy Atoms | 37 |
| Complexity | 1376.5396 |
Chemical Identifiers
| CAS Number | 391917-72-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)C4=CC=CC=C4 |
Product Overview
AC1NNX8Y (CAS 391917-72-9), with molecular formula C29H30N4O3S and molecular weight 514.20386 g/mol. IUPAC: 4-tert-butyl-N-[[4-(2-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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