3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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![3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c9a475445f16425d8b0896ab89e48c0a.png "3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid")
3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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CAS No:
302949-53-7
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Formula:
C18H21NO5S2
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Chemical Name:
3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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Synonyms:
ZINC2585556;AKOS030513884;3-[(5E)-5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid;302949-53-7
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CAS No:
3-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Basic Attributes
395.5 g/mol
395.08611512 g/mol
Computed Properties
Molecular Weight:395.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:395.08611512
Monoisotopic Mass:395.08611512
Topological Polar Surface Area:134
Heavy Atom Count:26
Complexity:566
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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