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

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

  • Molecular FormulaC22H21D3ClFN4O3
  • Average mass449.921 Da
  • Monoisotopic mass449.170929 Da
  • ChemSpider ID58778789

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±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: 4.24
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 45.41
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 280.42
ACD/KOC (pH 7.4): 1793.34
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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