ChemSpider 2D Image | N-(~2~H_3_)Methyl-2-({3-[(E)-2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide | C22H15D3N4OS

N-(2H3)Methyl-2-({3-[(E)-2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide

  • Molecular FormulaC22H15D3N4OS
  • Average mass389.488 Da
  • Monoisotopic mass389.138947 Da
  • ChemSpider ID48059663

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

Benzamide, N-(methyl-d3)-2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]- [ACD/Index Name]
N-(2H3)Methyl-2-({3-[(E)-2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamid [German] [ACD/IUPAC Name]
N-(2H3)Methyl-2-({3-[(E)-2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide [ACD/IUPAC Name]
N-(2H3)Méthyl-2-({3-[(E)-2-(2-pyridinyl)vinyl]-1H-indazol-6-yl}sulfanyl)benzamide [French] [ACD/IUPAC Name]
1126623-89-9 [RN]
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-(trideuteriomethyl)benzamide
axitinib-d3

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 668.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±3.0 kJ/mol
    Flash Point: 358.3±31.5 °C
    Index of Refraction: 1.728
    Molar Refractivity: 113.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 334.58
    ACD/KOC (pH 5.5): 2203.52
    ACD/LogD (pH 7.4): 3.65
    ACD/BCF (pH 7.4): 349.68
    ACD/KOC (pH 7.4): 2303.01
    Polar Surface Area: 96 Å2
    Polarizability: 45.0±0.5 10-24cm3
    Surface Tension: 75.2±5.0 dyne/cm
    Molar Volume: 284.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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