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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight504.55756 [g/mol]
    Molecular FormulaC26H24N4O5S
    XLogP5.5
    H-Bond Donor1
    H-Bond Acceptor7
    Rotatable Bond Count8
    Tautomer Count2
    Exact Mass504.146741
    MonoIsotopic Mass504.146741
    Topological Polar Surface Area96.2
    Heavy Atom Count36
    Formal Charge0
    Complexity844
    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: 3-(4-ethoxyphenyl)-6-hydroxy-1-(2-methoxyphenyl)-5-(2-methoxyphenyl)
    diazenyl-2-sulfanylidenepyrimidin-4-one
    Canonical SMILES: CCOC1=CC=C(C=C1)N2C(=O)C(=C(N(C2=S)C3=CC=CC=C3OC)O)N=NC4=CC=CC=C4OC
    InChI: InChI=1/C26H24N4O5S/c1-4-35-18-15-13-17(14-16-18)29-24(31)23(28-27-19-9-
    5-7-11-21(19)33-2)25(32)30(26(29)36)20-10-6-8-12-22(20)34-3/h5-16,32H,
    4H2,1-3H3/b28-27+



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