ChemSpider 2D Image | 5-[3-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(~2~H_3_)methyl-2-pyridinecarboxamide | C21H13D3ClF3N4O3

5-[3-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(2H3)methyl-2-pyridinecarboxamide

  • Molecular FormulaC21H13D3ClF3N4O3
  • Average mass467.843 Da
  • Monoisotopic mass467.105133 Da
  • ChemSpider ID71083575

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyridinecarboxamide, 5-[3-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-(methyl-d3)- [ACD/Index Name]
5-[3-({[4-Chlor-3-(trifluormethyl)phenyl]carbamoyl}amino)phenoxy]-N-(2H3)methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-[3-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-(2H3)methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
5-[3-({[4-Chloro-3-(trifluorométhyl)phényl]carbamoyl}amino)phénoxy]-N-(2H3)méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
Sorafenib-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 527.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 273.0±30.1 °C
    Index of Refraction: 1.626
    Molar Refractivity: 113.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.92
    ACD/LogD (pH 5.5): 4.59
    ACD/BCF (pH 5.5): 1817.62
    ACD/KOC (pH 5.5): 7493.75
    ACD/LogD (pH 7.4): 4.59
    ACD/BCF (pH 7.4): 1818.00
    ACD/KOC (pH 7.4): 7495.32
    Polar Surface Area: 92 Å2
    Polarizability: 44.8±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 319.5±3.0 cm3

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