2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid
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![2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a360503de4014bf59e842c57c762a735.png "2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid")
2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid
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CAS No:
292161-10-5
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Formula:
C22H20N6O4S
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Chemical Name:
2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid
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Synonyms:
SMR000243212;MLS000401533;MLS003911549;CHEMBL1403504;HMS2622I15;ZINC3181569;AKOS001033323;AKOS034454062;MCULE-1402395445;ST50148501;Z56782681;2-[3-((E)-2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbothioyl}hydrazono)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid;2-[3-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}imino)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid;2-{3-[({[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))amino]thioxomethyl}ami no)azamethylene]-2-oxobenzo[d]azolinyl}acetic acid;292161-10-5
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CAS No:
2-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetic acid Basic Attributes
464.5 g/mol
464.12667431 g/mol
Computed Properties
Molecular Weight:464.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:464.12667431
Monoisotopic Mass:464.12667431
Topological Polar Surface Area:155
Heavy Atom Count:33
Complexity:858
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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