ChemSpider 2D Image | N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(2,2,3,3,5,5,6,6-~2~H_8_)-4-piperidinylmethoxy]-4-quinazolinamine | C21H14D8BrFN4O2

N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(2,2,3,3,5,5,6,6-2H8)-4-piperidinylmethoxy]-4-quinazolinamine

  • Molecular FormulaC21H14D8BrFN4O2
  • Average mass469.377 Da
  • Monoisotopic mass468.141235 Da
  • ChemSpider ID107433407

  • 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-methoxy-7-(4-piperidinyl-2,2,3,3,5,5,6,6-d8-methoxy)- [ACD/Index Name]
N-(4-Brom-2-fluorphenyl)-6-methoxy-7-[(2,2,3,3,5,5,6,6-2H8)-4-piperidinylmethoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(2,2,3,3,5,5,6,6-2H8)-4-piperidinylmethoxy]-4-quinazolinamine [ACD/IUPAC Name]
N-(4-Bromo-2-fluorophényl)-6-méthoxy-7-[(2,2,3,3,5,5,6,6-2H8)-4-pipéridinylméthoxy]-4-quinazolinamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.1±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 17.42
Polar Surface Area: 68 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


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