AC1LZ9NP
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: AK-777/12226067|2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile|2-[2-(4-Methoxy-phenyl)-2-oxo-ethylsulfanyl]-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carbonitrile|2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile|2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile|2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile|2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarbonitrile|6-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04425 g/mol |
| LogP | 3.24898 |
| Topological Polar Surface Area | 82.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.04425 |
| Monoisotopic Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 883.4687 |
Chemical Identifiers
| CAS Number | 340809-28-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=C(C(=CC(=O)N2)C(F)(F)F)C#N |
Product Overview
AC1LZ9NP (CAS 340809-28-1), with molecular formula C16H11F3N2O3S and molecular weight 368.04425 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
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