ChemSpider 2D Image | (2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide | C24H25ClFN5O3

(2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID32741185

  • 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

(2Z)-N-{4-[(3-Chlor-4-fluorphenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
(2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
(2Z)-N-{4-[(3-Chloro-4-fluorophényl)amino]-7-[(3S)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
1680184-59-1 [RN]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2Z)- [ACD/Index Name]
(2z)-afatinib
(Z)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Afatinib [INN] [USAN] [Wiki]
missing

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 676.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.4±3.0 kJ/mol
    Flash Point: 363.2±31.5 °C
    Index of Refraction: 1.668
    Molar Refractivity: 131.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.44
    ACD/LogD (pH 7.4): 2.87
    ACD/BCF (pH 7.4): 65.93
    ACD/KOC (pH 7.4): 483.19
    Polar Surface Area: 89 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 352.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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