ChemSpider 2D Image | N-(3-{[(6-Bromo-4-quinazolinyl)amino]methyl}phenyl)isonicotinamide | C21H16BrN5O

N-(3-{[(6-Bromo-4-quinazolinyl)amino]methyl}phenyl)isonicotinamide

  • Molecular FormulaC21H16BrN5O
  • Average mass434.289 Da
  • Monoisotopic mass433.053802 Da
  • ChemSpider ID31621335

More details:

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

4-Pyridinecarboxamide, N-[3-[[(6-bromo-4-quinazolinyl)amino]methyl]phenyl]- [ACD/Index Name]
N-(3-{[(6-Brom-4-chinazolinyl)amino]methyl}phenyl)isonicotinamid [German] [ACD/IUPAC Name]
N-(3-{[(6-Bromo-4-quinazolinyl)amino]methyl}phenyl)isonicotinamide [ACD/IUPAC Name]
N-(3-{[(6-Bromo-4-quinazolinyl)amino]méthyl}phényl)isonicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 554.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.9±30.1 °C
Index of Refraction: 1.761
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 66.08
ACD/KOC (pH 5.5): 485.92
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.85
ACD/KOC (pH 7.4): 1690.25
Polar Surface Area: 80 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


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