ChemSpider 2D Image | 1-(4-Fluorophenyl)-4-{4-[2-thioxo(4,5,6,7-~2~H_4_)-2,3-dihydro-1H-benzimidazol-1-yl]-1-piperidinyl}-1-butanone | C22H20D4FN3OS

1-(4-Fluorophenyl)-4-{4-[2-thioxo(4,5,6,7-2H4)-2,3-dihydro-1H-benzimidazol-1-yl]-1-piperidinyl}-1-butanone

  • Molecular FormulaC22H20D4FN3OS
  • Average mass401.534 Da
  • Monoisotopic mass401.187531 Da
  • ChemSpider ID23630339

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(4-Fluorophenyl)-4-{4-[2-thioxo(4,5,6,7-2H4)-2,3-dihydro-1H-benzimidazol-1-yl]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]
1-(4-Fluorophényl)-4-{4-[2-thioxo(4,5,6,7-2H4)-2,3-dihydro-1H-benzimidazol-1-yl]-1-pipéridinyl}-1-butanone [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-4-{4-[2-thioxo(4,5,6,7-2H4)-2,3-dihydro-1H-benzimidazol-1-yl]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 4-[4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl-4,5,6,7-d4)-1-piperidinyl]-1-(4-fluorophenyl)- [ACD/Index Name]
1-(4-fluorophenyl)-4-[4-(4,5,6,7-tetradeuterio-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
1185042-00-5 [RN]
timiperone-d4 (major)x00b(contain d0)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 560.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.3±3.0 kJ/mol
    Flash Point: 293.0±32.9 °C
    Index of Refraction: 1.664
    Molar Refractivity: 112.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 1.55
    ACD/KOC (pH 5.5): 9.99
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 79.21
    ACD/KOC (pH 7.4): 509.58
    Polar Surface Area: 68 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 302.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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