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  • (2R)-2-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-1,,2-dihydroquina
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight440.92084 [g/mol]
    Molecular FormulaC27H21ClN2O2
    XLogP6.8
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass440.129156
    MonoIsotopic Mass440.129156
    Topological Polar Surface Area41.6
    Heavy Atom Count32
    Formal Charge0
    Complexity617
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (2R)-2-[4-[(2-chlorophenyl)methoxy]phenyl]-3-phenyl-1,
    2-dihydroquinazolin-4-one
    Canonical SMILES: C1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
    Isomeric SMILES: C1=CC=C(C=C1)N2[C@@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
    InChI: InChI=1/C27H21ClN2O2/c28-24-12-6-4-8-20(24)18-32-22-16-14-19(15-17-22)
    26-29-25-13-7-5-11-23(25)27(31)30(26)21-9-2-1-3-10-21/h1-17,26,29H,
    18H2/t26-/m1/s1

    ChemDrug版权识别码:18484484673734512
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