ChemSpider 2D Image | 3-{[3-Bromo-5-methoxy-4-(2-propyn-1-yloxy)benzylidene]amino}-2-(5-chloro-1-benzofuran-2-yl)-4(3H)-quinazolinone | C27H17BrClN3O4

3-{[3-Bromo-5-methoxy-4-(2-propyn-1-yloxy)benzylidene]amino}-2-(5-chloro-1-benzofuran-2-yl)-4(3H)-quinazolinone

  • Molecular FormulaC27H17BrClN3O4
  • Average mass562.799 Da
  • Monoisotopic mass561.009094 Da
  • ChemSpider ID79839876

More details:

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

3-{[3-Brom-5-methoxy-4-(2-propin-1-yloxy)benzyliden]amino}-2-(5-chlor-1-benzofuran-2-yl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-{[3-Bromo-5-methoxy-4-(2-propyn-1-yloxy)benzylidene]amino}-2-(5-chloro-1-benzofuran-2-yl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-{[3-Bromo-5-méthoxy-4-(2-propyn-1-yloxy)benzylidène]amino}-2-(5-chloro-1-benzofuran-2-yl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-[[[3-bromo-5-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene]amino]-2-(5-chloro-2-benzofuranyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.6±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18121.87
ACD/KOC (pH 5.5): 38869.47
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18121.87
ACD/KOC (pH 7.4): 38869.47
Polar Surface Area: 77 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 381.2±7.0 cm3

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