ChemSpider 2D Image | Methyl 4-({3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl}methyl)benzoate | C25H24N2O3

Methyl 4-({3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl}methyl)benzoate

  • Molecular FormulaC25H24N2O3
  • Average mass400.470 Da
  • Monoisotopic mass400.178680 Da
  • ChemSpider ID24740801

  • Double-bond stereo - Double-bond stereo

More details:

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

4-({3-[(Z)-(3-Oxo-1-azabicyclo[2.2.2]oct-2-ylidène)méthyl]-1H-indol-1-yl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl}methyl)benzoate [ACD/IUPAC Name]
Methyl-4-({3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-yliden)methyl]-1H-indol-1-yl}methyl)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1305.60
ACD/KOC (pH 5.5): 5883.49
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1329.42
ACD/KOC (pH 7.4): 5990.83
Polar Surface Area: 52 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

Click to predict properties on the Chemicalize site


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