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    Technical details about CAS 1225208-44-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1225208-44-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1225208-44-5, Mdk08445, Schembl12381223, Akos040748885, Db-116670, 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-n-(2-pyrrolidin-1-ylethyl)benzamide
    Molecular Formula
    C29H33ClN2O5
    Molecular Weight
    525.0  g/mol
    InChI Key
    JHVSKUKBBZURJZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-N-(2-pyrrolidin-1-ylethyl)benzamide
    2.1.2 InChI
    InChI=1S/C29H33ClN2O5/c1-34-23-9-5-21(6-10-23)19-36-26-14-13-25(29(33)31-15-18-32-16-3-4-17-32)27(30)28(26)37-20-22-7-11-24(35-2)12-8-22/h5-14H,3-4,15-20H2,1-2H3,(H,31,33)
    2.1.3 InChI Key
    JHVSKUKBBZURJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)COC2=C(C(=C(C=C2)C(=O)NCCN3CCCC3)Cl)OCC4=CC=C(C=C4)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1225208-44-5

    2. Mdk08445

    3. Schembl12381223

    4. Akos040748885

    5. Db-116670

    6. 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-n-(2-pyrrolidin-1-ylethyl)benzamide

    7. 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-n-[2-(1-pyrrolidinyl)ethyl]benzamide

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 525.0 g/mol
    Molecular Formula C29H33ClN2O5
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count12
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area69.3
    Heavy Atom Count37
    Formal Charge0
    Complexity663
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1