2-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-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-methyl-4-(2-methylpropoxy)phenyl]-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/b67633c0426d4b4b955870eb3c593cfc.png "2-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid")
2-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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CAS No:
955863-35-1
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Formula:
C26H25N3O4S2
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Chemical Name:
2-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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Synonyms:
STK988029;ZINC13619018;AKOS002194104;ST50091758;((5Z)-5-{[3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid;(Z)-2-(5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid;[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid;2-[5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl}methylene)- 4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid;955863-35-1
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CAS No:
2-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-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
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:507.12864863
Monoisotopic Mass:507.12864863
Topological Polar Surface Area:142
Heavy Atom Count:35
Complexity:829
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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