[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
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![[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a01525f5d3e943b9b761e94680ee7490.png "[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate")
[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
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CAS No:
742110-32-3
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Formula:
C26H22N2O7S
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Chemical Name:
[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
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Synonyms:
ZINC3312299;[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate;742110-32-3
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CAS No:
[4-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Basic Attributes
506.5 g/mol
506.11477222 g/mol
Computed Properties
Molecular Weight:506.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:506.11477222
Monoisotopic Mass:506.11477222
Topological Polar Surface Area:132
Heavy Atom Count:36
Complexity:945
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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