ChemSpider 2D Image | 4-({3-[(Z)-(3-Oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile | C24H21N3O

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

  • Molecular FormulaC24H21N3O
  • Average mass367.443 Da
  • Monoisotopic mass367.168457 Da
  • ChemSpider ID24740800

  • 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-yliden)methyl]-1H-indol-1-yl}methyl)benzonitril [German] [ACD/IUPAC Name]
4-({3-[(Z)-(3-Oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile [ACD/IUPAC Name]
4-({3-[(Z)-(3-Oxo-1-azabicyclo[2.2.2]oct-2-ylidène)méthyl]-1H-indol-1-yl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[3-[(Z)-(3-oxo-1-azabicyclo[2.2.2]oct-2-ylidene)methyl]-1H-indol-1-yl]methyl]- [ACD/Index 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: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 627.05
ACD/KOC (pH 5.5): 3481.17
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.10
ACD/KOC (pH 7.4): 3542.53
Polar Surface Area: 49 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 291.8±7.0 cm3

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