3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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![3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/88e2d542677c46ce87a51ce1a79b6fa4.png "3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid")
3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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CAS No:
799779-61-6
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Formula:
C22H18N2O4S
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Chemical Name:
3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
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Synonyms:
ZINC8654233;AKOS000290075;799779-61-6
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CAS No:
3-[[(5Z)-3-ethyl-4-oxo-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid Basic Attributes
406.5 g/mol
406.09872823 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:406.09872823
Monoisotopic Mass:406.09872823
Topological Polar Surface Area:105
Heavy Atom Count:29
Complexity:730
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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