ChemSpider 2D Image | (2-Iodophenyl)(1-{[1-(~2~H_3_)methyl-2-piperidinyl](~2~H_2_)methyl}-1H-indol-3-yl)methanone | C22H18D5IN2O

(2-Iodophenyl)(1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-1H-indol-3-yl)methanone

  • Molecular FormulaC22H18D5IN2O
  • Average mass463.366 Da
  • Monoisotopic mass463.116882 Da
  • ChemSpider ID48057937

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2-Iodophenyl)(1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-1H-indol-3-yl)methanone [ACD/IUPAC Name]
(2-Iodophényl)(1-{[1-(2H3)méthyl-2-pipéridinyl](2H2)méthyl}-1H-indol-3-yl)méthanone [French] [ACD/IUPAC Name]
(2-Iodphenyl)(1-{[1-(2H3)methyl-2-piperidinyl](2H2)methyl}-1H-indol-3-yl)methanon [German] [ACD/IUPAC Name]
Methanone, (2-iodophenyl)[1-[[1-(methyl-d3)-2-piperidinyl]methyl-d2]-1H-indol-3-yl]- [ACD/Index Name]
[1-[dideuterio-[1-(trideuteriomethyl)piperidin-2-yl]methyl]indol-3-yl]-(2-iodophenyl)methanone
1346602-77-4 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 571.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.6±3.0 kJ/mol
    Flash Point: 299.1±24.6 °C
    Index of Refraction: 1.669
    Molar Refractivity: 115.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.03
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 3.16
    ACD/KOC (pH 5.5): 10.64
    ACD/LogD (pH 7.4): 2.72
    ACD/BCF (pH 7.4): 19.75
    ACD/KOC (pH 7.4): 66.50
    Polar Surface Area: 25 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 308.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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