loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

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

    Client Email Product
    Menu

    Dovitinib

    DEVELOPMENTS

    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
    C21H21FN6O
    Molecular Weight
    392.4  g/mol
    InChI Key
    KCOYQXZDFIIGCY-ZZEZOPTASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one
    2.1.2 InChI
    InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-
    2.1.3 InChI Key
    KCOYQXZDFIIGCY-ZZEZOPTASA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3
    2.1.5 Isomeric SMILES
    CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C(=NC4=O)C=CC=C5F)N)/N3
    2.2 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 392.4 g/mol
    Molecular Formula C21H21FN6O
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass392.17608748 g/mol
    Monoisotopic Mass392.17608748 g/mol
    Topological Polar Surface Area86 A^2
    Heavy Atom Count29
    Formal Charge0
    Complexity893
    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