(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
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![(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/40ea0beaaa0f465cb4b5c3ca320b106d.png "(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile")
(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
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CAS No:
1164538-94-6
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Formula:
C25H18ClN3O4S
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Chemical Name:
(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
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Synonyms:
SMR000220408;(E)-2-Benzenesulfonyl-3-[2-(4-chloro-3-methyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-acrylonitrile;MLS000580989;MLS003903575;CHEMBL1385801;HMS2561H06;ZINC2425196;STK800583;AKOS001693199;(2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)acrylonitrile;(2E)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile;1164538-94-6
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CAS No:
(E)-2-(benzenesulfonyl)-3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Basic Attributes
491.9 g/mol
491.0706549 g/mol
Computed Properties
Molecular Weight:491.9
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:491.0706549
Monoisotopic Mass:491.0706549
Topological Polar Surface Area:108
Heavy Atom Count:34
Complexity:1160
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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