ChemSpider 2D Image | 6-Bromo-3-{[2,3-dibromo-4-(2,2-dimethylpropoxy)-5-methoxybenzylidene]amino}-2-ethyl-4(3H)-quinazolinone | C23H24Br3N3O3

6-Bromo-3-{[2,3-dibromo-4-(2,2-dimethylpropoxy)-5-methoxybenzylidene]amino}-2-ethyl-4(3H)-quinazolinone

  • Molecular FormulaC23H24Br3N3O3
  • Average mass630.167 Da
  • Monoisotopic mass626.936768 Da
  • ChemSpider ID79831661

More details:

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

4(3H)-Quinazolinone, 6-bromo-3-[[[2,3-dibromo-4-(2,2-dimethylpropoxy)-5-methoxyphenyl]methylene]amino]-2-ethyl- [ACD/Index Name]
6-Brom-3-{[2,3-dibrom-4-(2,2-dimethylpropoxy)-5-methoxybenzyliden]amino}-2-ethyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
6-Bromo-3-{[2,3-dibromo-4-(2,2-dimethylpropoxy)-5-methoxybenzylidene]amino}-2-ethyl-4(3H)-quinazolinone [ACD/IUPAC Name]
6-Bromo-3-{[2,3-dibromo-4-(2,2-diméthylpropoxy)-5-méthoxybenzylidène]amino}-2-éthyl-4(3H)-quinazolinone [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: 635.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79363.63
ACD/KOC (pH 5.5): 111874.06
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79363.63
ACD/KOC (pH 7.4): 111874.06
Polar Surface Area: 63 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

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