ChemSpider 2D Image | (2E)-N-{4-[(3,4-Difluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide | C24H25F2N5O3

(2E)-N-{4-[(3,4-Difluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide

  • Molecular FormulaC24H25F2N5O3
  • Average mass469.484 Da
  • Monoisotopic mass469.192535 Da
  • ChemSpider ID67865173

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-N-{4-[(3,4-Difluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
(2E)-N-{4-[(3,4-Difluorophényl)amino]-7-[(3S)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
(2E)-N-{4-[(3,4-Difluorphenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3,4-difluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)- [ACD/Index Name]
(S,E)-N-(4-((3,4-Difluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide (Afatinib Impurity)
2223677-62-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 654.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.4±3.0 kJ/mol
    Flash Point: 349.7±31.5 °C
    Index of Refraction: 1.655
    Molar Refractivity: 126.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.62
    ACD/LogD (pH 7.4): 2.41
    ACD/BCF (pH 7.4): 29.42
    ACD/KOC (pH 7.4): 271.17
    Polar Surface Area: 89 Å2
    Polarizability: 50.1±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 344.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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