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    CAS 1190363-46-2 manufacturers and suppliers on PharmaCompass

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    CAS 1190363-46-2

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    CAS 1190363-46-2
    Also known as: 1190363-46-2, 1397526-07-6, 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-, Schembl15674591, 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
    Molecular Formula
    C25H33F2NO2Si
    Molecular Weight
    445.6  g/mol
    InChI Key
    AIVVBBARCYSYDU-UHFFFAOYSA-N
    1 2D Structure

    CAS 1190363-46-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
    2.1.2 InChI
    InChI=1S/C25H33F2NO2Si/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)25(29)20-10-8-14-28-24(20)22/h7-11,14-17,19,22H,12-13H2,1-6H3
    2.1.3 InChI Key
    AIVVBBARCYSYDU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(=O)C2=C1N=CC=C2)C3=C(C(=CC=C3)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1190363-46-2

    2. 1397526-07-6

    3. 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-

    4. Schembl15674591

    5. 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

    2.3 Create Date
    2014-08-04
    3 Chemical and Physical Properties
    Molecular Weight 445.6 g/mol
    Molecular Formula C25H33F2NO2Si
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass445.22486215 g/mol
    Monoisotopic Mass445.22486215 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity593
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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