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    Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate manufacturers and suppliers on PharmaCompass

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    Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate

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    Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate
    Also known as: Akos033662426, Zinc225696306, Z1913691094, 1808823-02-0
    Molecular Formula
    C16H15N3O3S
    Molecular Weight
    329.4  g/mol
    InChI Key
    KABJBCXRECTLLG-UHFFFAOYSA-N
    1 2D Structure

    Ethyl 4 - (1-Hydroxy -1 - Methyl Ethyl ) -2-Propyl-Imidazole-5-Carboxylate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(3-aminopyrazin-2-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one
    2.1.2 InChI
    InChI=1S/C16H15N3O3S/c1-2-9-5-11-10(6-14(21)22-13(11)7-12(9)20)8-23-16-15(17)18-3-4-19-16/h3-7,20H,2,8H2,1H3,(H2,17,18)
    2.1.3 InChI Key
    KABJBCXRECTLLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NC=CN=C3N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Akos033662426

    2. Zinc225696306

    3. Z1913691094

    4. 1808823-02-0

    2.3 Create Date
    2015-12-11
    3 Chemical and Physical Properties
    Molecular Weight 329.4 g/mol
    Molecular Formula C16H15N3O3S
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass329.08341252 g/mol
    Monoisotopic Mass329.08341252 g/mol
    Topological Polar Surface Area124 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity474
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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