ChemSpider 2D Image | 6-Bromo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-4-quinazolinamine | C18H14BrN5

6-Bromo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-4-quinazolinamine

  • Molecular FormulaC18H14BrN5
  • Average mass380.241 Da
  • Monoisotopic mass379.043243 Da
  • ChemSpider ID31611769

More details:






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

4-Quinazolinamine, 6-bromo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
6-Brom-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
6-Bromo-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]-4-quinazolinamine [ACD/IUPAC Name]
6-Bromo-N-[(1-phényl-1H-pyrazol-4-yl)méthyl]-4-quinazolinamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 552.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 146.97
ACD/KOC (pH 5.5): 896.28
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.67
ACD/KOC (pH 7.4): 2723.91
Polar Surface Area: 56 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 250.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement