ChemSpider 2D Image | N-(4-Bromo-2-fluorophenyl)-6-[(~2~H_3_)methyloxy]-7-{[1-(~2~H_3_)methyl-4-piperidinyl]methoxy}-4-quinazolinamine | C22H18D6BrFN4O2

N-(4-Bromo-2-fluorophenyl)-6-[(2H3)methyloxy]-7-{[1-(2H3)methyl-4-piperidinyl]methoxy}-4-quinazolinamine

  • Molecular FormulaC22H18D6BrFN4O2
  • Average mass481.391 Da
  • Monoisotopic mass480.144318 Da
  • ChemSpider ID34559667
  • Non-standard isotope - Non-standard isotope


More details:






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

4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-(methyl-d3-oxy)-7-[[1-(methyl-d3)-4-piperidinyl]methoxy]- [ACD/Index Name]
N-(4-Brom-2-fluorphenyl)-6-[(2H3)methyloxy]-7-{[1-(2H3)methyl-4-piperidinyl]methoxy}-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophenyl)-6-[(2H3)methyloxy]-7-{[1-(2H3)methyl-4-piperidinyl]methoxy}-4-quinazolinamine [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophényl)-6-[(2H3)méthyloxy]-7-{[1-(2H3)méthyl-4-pipéridinyl]méthoxy}-4-quinazolinamine [French] [ACD/IUPAC Name]
1174683-49-8 [RN]
Vandetanib-d6
Vandetanib-d6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 6.42
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 77.08
ACD/KOC (pH 7.4): 293.00
Polar Surface Area: 60 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 338.0±3.0 cm3

Click to predict properties on the Chemicalize site






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