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  • [(1R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-1-phenyleth
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight547.99629 [g/mol]
    Molecular FormulaC26H17ClF3NO3S2
    XLogP6
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count8
    Tautomer Count2
    Exact Mass547.029047
    MonoIsotopic Mass547.029047
    Topological Polar Surface Area55.4
    Heavy Atom Count36
    Formal Charge0
    Complexity806
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count1
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [(1R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-1-phenylethyl]
    (Z)-2,3-di(thiophen-2-yl)prop-2-enoate
    Canonical SMILES: C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC(=O)C(=CC3=CC=CS3)C4=
    CC=CS4
    Isomeric SMILES: C1=CC=C(C=C1)[C@H](C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC(=O)/C(=C/C3=CC=
    CS3)/C4=CC=CS4
    InChI: InChI=1/C26H17ClF3NO3S2/c27-21-11-10-17(14-20(21)26(28,
    29)30)31-24(32)23(16-6-2-1-3-7-16)34-25(33)19(22-9-5-13-36-22)15-18-8-4-
    12-35-18/h1-15,23H,(H,31,32)/b19-15+/t23-/m1/s1/f/h31H

    ChemDrug版权识别码:2186445300160732436370
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