CID 2745687
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CID 2745687
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CAS No:
264233-05-8
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Formula:
C17H19F2N5O2S
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Chemical Name:
CID 2745687
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Synonyms:
Methyl 1-(2,4-Difluoro-phenyl)-5-((4-tert-butyl-thioseMicarbazono)Methyl)-1H-pyrazole-4-carboxylate;methyl 5-[(E)-(tert-butylcarbamothioylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
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CAS No:
Description
5-[[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester is a ring assembly and a member of pyrazoles.
CID 2745687 Use and Manufacturing
Used as a GPR35 antagonist, with potential application towards immune or gastrointestinal system regulation.
Computed Properties
Molecular Weight:395.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:395.12275236
Monoisotopic Mass:395.12275236
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:572
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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