2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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![2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5f188774d7e54d0086562b1a4bf3652e.png "2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid")
2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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CAS No:
955861-78-6
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Formula:
C26H25N3O4S2
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Chemical Name:
2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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Synonyms:
ZINC2364763;STK810725;AKOS002166824;ST50045250;((5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid;(Z)-2-(5-((3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid;[(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid;2-(5-{[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylene}-4-oxo-2-thi oxo-1,3-thiazolidin-3-yl)acetic acid;955861-78-6
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CAS No:
2-[(5Z)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Basic Attributes
507.6 g/mol
507.12864863 g/mol
Computed Properties
Molecular Weight:507.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:507.12864863
Monoisotopic Mass:507.12864863
Topological Polar Surface Area:142
Heavy Atom Count:35
Complexity:816
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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