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  • STK206890,ZINC02204636, methyl,2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylc
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    STK206890
    ZINC02204636

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight397.49062 [g/mol]
    Molecular FormulaC21H23N3O3S
    XLogP2.8
    H-Bond Donor3
    H-Bond Acceptor4
    Rotatable Bond Count8
    Tautomer Count3
    Exact Mass397.146012
    MonoIsotopic Mass397.146012
    Topological Polar Surface Area75.4
    Heavy Atom Count28
    Formal Charge0
    Complexity525
    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: methyl
    2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate
    Canonical SMILES: COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=C(C=C3)CC(=O)OC
    InChI: InChI=1/C21H23N3O3S/c1-26-17-7-8-19-18(12-17)15(13-23-19)9-10-22-21(28)
    24-16-5-3-14(4-6-16)11-20(25)27-2/h3-8,12-13,23H,9-11H2,1-2H3,(H2,22,24,
    28)/f/h22,24H

    ChemDrug版权识别码:0533254646140043076866
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