Free Chemical Databases



  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight560.08306 [g/mol]
    Molecular FormulaC32H34ClN3O4
    XLogP6.736
    H-Bond Donor3
    H-Bond Acceptor6
    Rotatable Bond Count10
    Tautomer Count6
    Exact Mass559.223784
    MonoIsotopic Mass559.223784
    Topological Polar Surface Area91.2
    Heavy Atom Count40
    Formal Charge0
    Complexity897
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[[1-(2-hydroxy-4-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-
    ylidene]amino]-2-phenylacetamide hydrochloride
    Canonical SMILES: C1CCN(C1)CCC(=NNC(=O)CC2=CC=CC=C2)CC(C3=CC=CC=C3)C4=C(OC5=CC=CC=C5C4=O)
    O.Cl
    InChI: InChI=1/C32H33N3O4.ClH/c36-29(21-23-11-3-1-4-12-23)34-33-25(17-20-35-18-
    9-10-19-35)22-27(24-13-5-2-6-14-24)30-31(37)26-15-7-8-16-28(26)39-32(30)
    38;/h1-8,11-16,27,38H,9-10,17-22H2,(H,34,36);1H/f/h34H;



Other Chemicals
.140625