3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
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3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
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CAS No:
315244-68-9
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Formula:
C19H16N2O4S3
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Chemical Name:
3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
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Synonyms:
3-({4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid;MLS000673657;CHEMBL1385292;SCHEMBL12009006;HMS2641I12;CCG-4000;ZINC8764043;MFCD02328666;STK533327;AKOS002381463;SMR000298176;SR-01000227841;SR-01000227841-1;3-({4-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid;315244-68-9
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CAS No:
3-[4-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Basic Attributes
432.5 g/mol
432.02722052 g/mol
Computed Properties
Molecular Weight:432.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:432.02722052
Monoisotopic Mass:432.02722052
Topological Polar Surface Area:172
Heavy Atom Count:28
Complexity:682
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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