ChemSpider 2D Image | Afatinib-d6 | C24H19D6ClFN5O3

Afatinib-d6

  • Molecular FormulaC24H19D6ClFN5O3
  • Average mass491.975 Da
  • Monoisotopic mass491.200653 Da
  • ChemSpider ID60958992

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    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]-7-[(3S)-tetrahydro-3-furanyloxy]-6-chinazolinyl}-2-butenamid [German] [ACD/IUPAC Name]
(2E)-4-{Bis[(2H3)methyl]amino}-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-2-butenamide [ACD/IUPAC Name]
(2E)-4-{Bis[(2H3)méthyl]amino}-N-{4-[(3-chloro-4-fluorophényl)amino]-7-[(3S)-tétrahydro-3-furanyloxy]-6-quinazolinyl}-2-buténamide [French] [ACD/IUPAC Name]
1313874-96-2 [RN]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyl-d3-amino)-, (2E)- [ACD/Index Name]
Afatinib-d6
(2E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-[di(methyl-d3)amino]-2-butenamide
(E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide
Afatinib D6
MFCD30747909

    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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