1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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![1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/64a1766275ed4420add338df9dfb8275.png "1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone")
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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CAS No:
690249-79-7
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Formula:
C31H36N4O3S
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Chemical Name:
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Synonyms:
2-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone;690249-79-7;2-({4-allyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}thio)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone;ZINC2709023;STK807753;AKOS000809843;MCULE-8417365850;1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone;ST50777209;F1743-0058;1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone;1-[3,5-bis(tert-butyl)-4-hydroxyphenyl]-2-[4-prop-2-enyl-5-(8-quinolyloxymethy l)(1,2,4-triazol-3-ylthio)]ethan-1-one
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CAS No:
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes
544.7 g/mol
544.25081220 g/mol
Computed Properties
Molecular Weight:544.7
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:544.25081220
Monoisotopic Mass:544.25081220
Topological Polar Surface Area:115
Heavy Atom Count:39
Complexity:804
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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