2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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![2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d2ae66d531a46858eef884d0f05ba53.png "2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid")
2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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CAS No:
1009438-45-2
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Formula:
C22H17N3O4S2
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Chemical Name:
2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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Synonyms:
CHEMBL1935333;ZINC2380056;STK706811;AKOS005180213;(Z)-2-(5-((3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid;[(5Z)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid;1009438-45-2;2-(5-{(Z)-1-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolan-3-yl)acetic acid
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CAS No:
2-[(5Z)-5-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Basic Attributes
451.5 g/mol
451.06604838 g/mol
Computed Properties
Molecular Weight:451.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:451.06604838
Monoisotopic Mass:451.06604838
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:740
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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