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    ART26.12

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Art26.12, Schembl24314833, Schembl26794996, Ex-a10157, Hy-159115, 2766800-24-0
    Molecular Formula
    C29H28O6
    Molecular Weight
    472.5  g/mol
    InChI Key
    HFKXLDACQCGGEI-BINWOUKTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,4R)-3-(2,3-dihydro-1H-inden-2-yloxycarbonyl)-2,4-bis(2-methoxyphenyl)cyclobutane-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C29H28O6/c1-33-22-13-7-5-11-20(22)24-26(28(30)31)25(21-12-6-8-14-23(21)34-2)27(24)29(32)35-19-15-17-9-3-4-10-18(17)16-19/h3-14,19,24-27H,15-16H2,1-2H3,(H,30,31)/t24-,25-,26?,27?/m1/s1
    2.1.3 InChI Key
    HFKXLDACQCGGEI-BINWOUKTSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Art26.12

    2. Schembl24314833

    3. Schembl26794996

    4. Ex-a10157

    5. Hy-159115

    6. 2766800-24-0

    2.3 Create Date
    2022-05-13
    3 Chemical and Physical Properties
    Molecular Weight 472.5 g/mol
    Molecular Formula C29H28O6
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area82.1
    Heavy Atom Count35
    Formal Charge0
    Complexity707
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1