loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Branaplam, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Branaplam

    DEVELOPMENTS

    PRICE INFORMATION

    DIGITAL CONTENT

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as:
    Molecular Formula
    C22H27N5O2
    Molecular Weight
    393.5  g/mol
    InChI Key
    YIFFDXMJVNKGBL-ISLYRVAYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6E)-3-(1H-pyrazol-4-yl)-6-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-1H-pyridazin-6-ylidene]cyclohexa-2,4-dien-1-one
    2.1.2 InChI
    InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,25,27H,10-11H2,1-4H3,(H,23,24)/b18-17+
    2.1.3 InChI Key
    YIFFDXMJVNKGBL-ISLYRVAYSA-N
    2.1.4 Canonical SMILES
    CC1(CC(CC(N1)(C)C)OC2=NNC(=C3C=CC(=CC3=O)C4=CNN=C4)C=C2)C
    2.1.5 Isomeric SMILES
    CC1(CC(CC(N1)(C)C)OC2=NN/C(=C/3\C=CC(=CC3=O)C4=CNN=C4)/C=C2)C
    2.2 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 393.5 g/mol
    Molecular Formula C22H27N5O2
    XLogP32.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass393.21647512 g/mol
    Monoisotopic Mass393.21647512 g/mol
    Topological Polar Surface Area91.4 A^2
    Heavy Atom Count29
    Formal Charge0
    Complexity831
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY