ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-7-[(~2~H_3_)methyloxy]-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine | C22H21D3ClFN4O3

N-(3-Chloro-4-fluorophenyl)-7-[(2H3)methyloxy]-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine

  • Molecular FormulaC22H21D3ClFN4O3
  • Average mass449.921 Da
  • Monoisotopic mass449.170929 Da
  • ChemSpider ID23936203
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-(methyl-d3-oxy)-6-[3-(4-morpholinyl)propoxy]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-7-[(2H3)methyloxy]-6-[3-(4-morpholinyl)propoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-7-[(2H3)methyloxy]-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-7-[(2H3)méthyloxy]-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine [French] [ACD/IUPAC Name]
1173976-40-3 [RN]
Gefitinib-d3
Gefitinib-d3
N-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.0 g/cm3
    Boiling Point: 586.8±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 87.6±0.0 kJ/mol
    Flash Point: 308.7±0.0 °C
    Index of Refraction: 1.621
    Molar Refractivity: 118.8±0.0 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 1.23
    ACD/KOC (pH 5.5): 12.99
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 48.13
    ACD/KOC (pH 7.4): 507.82
    Polar Surface Area: 69 Å2
    Polarizability: 47.1±0.0 10-24cm3
    Surface Tension: 55.3±0.0 dyne/cm
    Molar Volume: 337.8±0.0 cm3

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