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    Technical details about AC-424, learn more about the structure, uses, toxicity, action, side effects and more

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    AC-424

    APIs // Active Pharmaceutical Ingredients

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as:
    Molecular Formula
    C20H22N4O6S
    Molecular Weight
    446.5  g/mol
    InChI Key
    HMCCXLBXIJMERM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (NE)-N-[[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]-(methoxycarbonylamino)methylidene]carbamate
    2.1.2 InChI
    InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
    2.1.3 InChI Key
    HMCCXLBXIJMERM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=NC(=O)OC)NC(=O)OC
    2.1.5 Isomeric SMILES
    COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N/C(=N\C(=O)OC)/NC(=O)OC
    2.2 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 446.5 g/mol
    Molecular Formula C20H22N4O6S
    XLogP33.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass446.12600561 g/mol
    Monoisotopic Mass446.12600561 g/mol
    Topological Polar Surface Area153 A^2
    Heavy Atom Count31
    Formal Charge0
    Complexity641
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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