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    BUILDING BLOCK

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    Chemistry

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    Also known as: 2189684-54-4, G76666, Tert-butyl (s)-(1-(3-bromo-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
    Molecular Formula
    C24H27BrF2N2O4S
    Molecular Weight
    557.4  g/mol
    InChI Key
    OBUPKGOLRNAZIS-FQEVSTJZSA-N
    CAS No 140845286
    1 2D Structure

    CAS No 140845286

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1S)-1-[3-bromo-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]carbamate
    2.1.2 InChI
    InChI=1S/C24H27BrF2N2O4S/c1-23(2,3)33-22(30)29-20(13-15-11-16(26)14-17(27)12-15)21-19(25)8-7-18(28-21)9-10-24(4,5)34(6,31)32/h7-8,11-12,14,20H,13H2,1-6H3,(H,29,30)/t20-/m0/s1
    2.1.3 InChI Key
    OBUPKGOLRNAZIS-FQEVSTJZSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2189684-54-4

    2. G76666

    3. Tert-butyl (s)-(1-(3-bromo-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate

    2.3 Create Date
    2019-12-06
    3 Chemical and Physical Properties
    Molecular Weight 557.4 g/mol
    Molecular Formula C24H27BrF2N2O4S
    XLogP34.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area93.7
    Heavy Atom Count34
    Formal Charge0
    Complexity878
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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