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  • [Synonyms]
    LS-136020
    2(1H)-Pyrimidinone, tetrahydro-1,3-dicyclohexyl-5-(2-hydroxypropyl)-5-(2-propenyl)-
    Tetrahydro-1,3-dicyclohexyl-5-(2-hydroxypropyl)-5-(2-propenyl)-2(1H)-pyrimidinone
    35957-57-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight362.54932 [g/mol]
    Molecular FormulaC22H38N2O2
    XLogP4.6
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count6
    Exact Mass362.293328
    MonoIsotopic Mass362.293328
    Topological Polar Surface Area43.8
    Heavy Atom Count26
    Formal Charge0
    Complexity451
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1,3-dicyclohexyl-5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinan-2-one
    Canonical SMILES: CC(CC1(CN(C(=O)N(C1)C2CCCCC2)C3CCCCC3)CC=C)O
    InChI: InChI=1/C22H38N2O2/c1-3-14-22(15-18(2)25)16-23(19-10-6-4-7-11-19)21(26)
    24(17-22)20-12-8-5-9-13-20/h3,18-20,25H,1,4-17H2,2H3



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