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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight430.47902 [g/mol]
    Molecular FormulaC23H18N4O3S
    XLogP5.2
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass430.109961
    MonoIsotopic Mass430.109961
    Topological Polar Surface Area77.7
    Heavy Atom Count31
    Formal Charge0
    Complexity720
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-hydroxy-1-(4-methoxyphenyl)-3-phenyl-5-phenyldiazenyl-2-
    sulfanylidenepyrimidin-4-one
    Canonical SMILES: COC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3)N=NC4=CC=CC=C4)O
    InChI: InChI=1/C23H18N4O3S/c1-30-19-14-12-18(13-15-19)27-22(29)20(25-24-16-8-4-
    2-5-9-16)21(28)26(23(27)31)17-10-6-3-7-11-17/h2-15,29H,1H3/b25-24+



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