ChemSpider 2D Image | 3-{[4-(Allyloxy)-3-iodobenzylidene]amino}-2-cyclohexyl-4(3H)-quinazolinone | C24H24IN3O2

3-{[4-(Allyloxy)-3-iodobenzylidene]amino}-2-cyclohexyl-4(3H)-quinazolinone

  • Molecular FormulaC24H24IN3O2
  • Average mass513.371 Da
  • Monoisotopic mass513.091309 Da
  • ChemSpider ID79841004

More details:






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

3-{[4-(Allyloxy)-3-iodbenzyliden]amino}-2-cyclohexyl-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-{[4-(Allyloxy)-3-iodobenzylidene]amino}-2-cyclohexyl-4(3H)-quinazolinone [ACD/IUPAC Name]
3-{[4-(Allyloxy)-3-iodobenzylidène]amino}-2-cyclohexyl-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-cyclohexyl-3-[[[3-iodo-4-(2-propen-1-yloxy)phenyl]methylene]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9740.34
ACD/KOC (pH 5.5): 24923.60
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9740.35
ACD/KOC (pH 7.4): 24923.63
Polar Surface Area: 54 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 345.4±7.0 cm3

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