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    Chemistry

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    Also known as: 1289024-42-5, 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-5-amine, Schembl15674334
    Molecular Formula
    C25H36F2N2OSi
    Molecular Weight
    446.6  g/mol
    InChI Key
    SNGLNEOTYPIRQO-UHFFFAOYSA-N
    CAS 1289024-42-5
    1 2D Structure

    CAS 1289024-42-5

    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-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
    2.1.2 InChI
    InChI=1S/C25H36F2N2OSi/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)24(28)20-10-8-14-29-25(20)22/h7-11,14-17,19,22,24H,12-13,28H2,1-6H3
    2.1.3 InChI Key
    SNGLNEOTYPIRQO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(C2=C1N=CC=C2)N)C3=C(C(=CC=C3)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1289024-42-5

    2. 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-5-amine

    3. Schembl15674334

    2.3 Create Date
    2014-09-13
    3 Chemical and Physical Properties
    Molecular Weight 446.6 g/mol
    Molecular Formula C25H36F2N2OSi
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area48.1
    Heavy Atom Count31
    Formal Charge0
    Complexity554
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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