ChemSpider 2D Image | (2E)-4-{Bis[(~2~H_3_)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-2-butenamide | C24H17D6ClFN5O2

(2E)-4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-2-butenamide

  • Molecular FormulaC24H17D6ClFN5O2
  • Average mass473.960 Da
  • Monoisotopic mass473.190094 Da
  • ChemSpider ID48061060

  • 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

(2E)-4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chlor-4-fluorphenyl)amino]-3-cyan-7-ethoxy-6-chinolinyl}-2-butenamid [German] [ACD/IUPAC Name]
(2E)-4-{Bis[(2H3)méthyl]amino}-N-{4-[(3-chloro-4-fluorophényl)amino]-3-cyano-7-éthoxy-6-quinoléinyl}-2-buténamide [French] [ACD/IUPAC Name]
(2E)-4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-2-butenamide [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethyl-d3-amino)-, (2E)- [ACD/Index Name]
(E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide
1325223-34-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 655.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 350.2±31.5 °C
    Index of Refraction: 1.645
    Molar Refractivity: 126.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.95
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 7.13
    ACD/KOC (pH 5.5): 32.03
    ACD/LogD (pH 7.4): 3.85
    ACD/BCF (pH 7.4): 360.18
    ACD/KOC (pH 7.4): 1618.89
    Polar Surface Area: 90 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 348.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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