ChemSpider 2D Image | N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-{3-[(~2~H_8_)-4-morpholinyl]propoxy}-4-quinazolinamine | C22H16D8ClFN4O3

N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-{3-[(2H8)-4-morpholinyl]propoxy}-4-quinazolinamine

  • Molecular FormulaC22H16D8ClFN4O3
  • Average mass454.952 Da
  • Monoisotopic mass454.202301 Da
  • ChemSpider ID57558857

  • 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-methoxy-6-[3-(4-morpholinyl-d8)propoxy]- [ACD/Index Name]
N-(3-Chlor-4-fluorphenyl)-7-methoxy-6-{3-[(2H8)-4-morpholinyl]propoxy}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-{3-[(2H8)-4-morpholinyl]propoxy}-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Chloro-4-fluorophényl)-7-méthoxy-6-{3-[(2H8)-4-morpholinyl]propoxy}-4-quinazolinamine [French] [ACD/IUPAC Name]
857091-32-8 [RN]
Gefitinib D8
Gefitinib-d8
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propoxy]quinazolin-4-amine
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-{3-[(2H8)morpholin-4-yl]propoxy}quinazolin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 7.02
ACD/KOC (pH 5.5): 45.23
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 273.81
ACD/KOC (pH 7.4): 1763.20
Polar Surface Area: 69 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 337.8±3.0 cm3

Click to predict properties on the Chemicalize site


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