Free Chemical Databases



  • [Synonyms]
    NSC143744
    60948-25-6

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight389.53314 [g/mol]
    Molecular FormulaC25H31N3O
    XLogP8
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count4
    Tautomer Count2
    Exact Mass389.246713
    MonoIsotopic Mass389.246713
    Topological Polar Surface Area44.7
    Heavy Atom Count29
    Formal Charge0
    Complexity552
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[[4-(9-azaspiro[5.5]undecan-9-yl)-2-methylphenyl]methylideneamino]
    benzamide
    Canonical SMILES: CC1=C(C=CC(=C1)N2CCC3(CCCCC3)CC2)C=NNC(=O)C4=CC=CC=C4
    InChI: InChI=1/C25H31N3O/c1-20-18-23(28-16-14-25(15-17-28)12-6-3-7-13-25)11-10-
    22(20)19-26-27-24(29)21-8-4-2-5-9-21/h2,4-5,8-11,18-19H,3,6-7,12-17H2,
    1H3,(H,27,29)/f/h27H



.15625