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    CAS 1160293-24-2 manufacturers and suppliers on PharmaCompass

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    CAS 1160293-24-2

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    CAS 1160293-24-2
    Also known as: 1160293-24-2, Zinc85577606, Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic acid methyl ester
    Molecular Formula
    C20H16ClNO5
    Molecular Weight
    385.8  g/mol
    InChI Key
    SGESEGRPYLHYDV-ZCXUNETKSA-N
    1 2D Structure

    CAS 1160293-24-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (3Z)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate
    2.1.2 InChI
    InChI=1S/C20H16ClNO5/c1-26-18(12-6-4-3-5-7-12)17-14-9-8-13(20(25)27-2)10-15(14)22(19(17)24)16(23)11-21/h3-10H,11H2,1-2H3/b18-17-
    2.1.3 InChI Key
    SGESEGRPYLHYDV-ZCXUNETKSA-N
    2.1.4 Canonical SMILES
    COC(=C1C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)C3=CC=CC=C3
    2.1.5 Isomeric SMILES
    CO/C(=C\1/C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)/C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1160293-24-2

    2. Zinc85577606

    3. Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

    4. Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

    5. 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic Acid Methyl Ester

    2.3 Create Date
    2015-03-31
    3 Chemical and Physical Properties
    Molecular Weight 385.8 g/mol
    Molecular Formula C20H16ClNO5
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass385.0717003 g/mol
    Monoisotopic Mass385.0717003 g/mol
    Topological Polar Surface Area72.9 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity640
    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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