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2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile structure

CAS No:
340809-28-1
Formula:
C16H11F3N2O3S
Chemical Name:
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Synonyms:
MLS000776940;SMR000413338;2-[2-(4-Methoxy-phenyl)-2-oxo-ethylsulfanyl]-6-oxo-4-trifluoromethyl-1,6-dihydro-pyridine-3-carbonitrile;CHEMBL1560408;BDBM58024;cid_1895868;REGID_for_CID_1895868;HMS2775G12;STK038384;ZINC13638465;AKOS003679880;MCULE-8013219701;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)-1,6-dihydropyridine-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-dihydropyridine-3-carbonitrile;340809-28-1;6-keto-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

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2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Basic Attributes

Molecular Weight：

368.3 g/mol

Exact Mass：

368.04424788 g/mol

Characteristics

PSA：

105 Å²

Water Solubility：

>55.2 [ug/mL]

Computed Properties

Molecular Weight:368.3
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:368.04424788
Monoisotopic Mass:368.04424788
Topological Polar Surface Area:105
Heavy Atom Count:25
Complexity:668
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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