2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid
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![2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/62c9c2cf38d54f02ab467dbc7ebe43f8.png "2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid")
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid
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CAS No:
630084-03-6
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Formula:
C20H19N3O4S
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Chemical Name:
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid
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Synonyms:
2-({[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]methyl}sulfanyl)benzoic acid;630084-03-6;ZINC3379339;STK328851;AKOS002793889;MCULE-7849964833;NE42062;2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid;EN300-09386;AB00728359-01;Z56346833;2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)benzoic acid
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CAS No:
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Basic Attributes
397.4 g/mol
397.10962727 g/mol
Computed Properties
Molecular Weight:397.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:397.10962727
Monoisotopic Mass:397.10962727
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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