2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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![2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/26f134ac7eb647aaa3d6a31d419a5f1e.png "2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid")
2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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CAS No:
378761-17-2
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Formula:
C21H18N2O5S2
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Chemical Name:
2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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Synonyms:
2-hydroxy-4-({3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid;SCHEMBL12008563;STK580371;ZINC13540103;AKOS005504137;(Z)-2-hydroxy-4-(3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid;378761-17-2
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CAS No:
2-hydroxy-4-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Basic Attributes
442.5 g/mol
442.06571403 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:442.06571403
Monoisotopic Mass:442.06571403
Topological Polar Surface Area:164
Heavy Atom Count:30
Complexity:733
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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