4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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![4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/810f74673d5b42f3829106022836b0ec.png "4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid")
4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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CAS No:
443877-92-7
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Formula:
C21H16N2O4S
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Chemical Name:
4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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Synonyms:
4-({3-methyl-4-oxo-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidin-2-ylidene}amino)benzoic acid;AN-698/40705429;STK698372;AKOS000285698;ZINC100215532;ZINC252595868;4-({(2E,5Z)-3-methyl-4-oxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}amino)benzoic acid;443877-92-7
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CAS No:
4-[[(5Z)-3-methyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Basic Attributes
392.4 g/mol
392.08307817 g/mol
Computed Properties
Molecular Weight:392.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:392.08307817
Monoisotopic Mass:392.08307817
Topological Polar Surface Area:105
Heavy Atom Count:28
Complexity:707
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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