ChemSpider 2D Image | 2,2'-{1H-Pyrazole-3,5-diylbis[(E)-2,1-ethenediyl(2-methoxy-4,1-phenylene)oxy]}bis(N-benzylacetamide) | C39H38N4O6

2,2'-{1H-Pyrazole-3,5-diylbis[(E)-2,1-ethenediyl(2-methoxy-4,1-phenylene)oxy]}bis(N-benzylacetamide)

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID90647451

  • Double-bond stereo - Double-bond stereo

More details:

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

2,2'-{1H-Pyrazol-3,5-diylbis[(E)-2,1-ethendiyl(2-methoxy-4,1-phenylen)oxy]}bis(N-benzylacetamid) [German] [ACD/IUPAC Name]
2,2'-{1H-Pyrazole-3,5-diylbis[(E)-2,1-ethenediyl(2-methoxy-4,1-phenylene)oxy]}bis(N-benzylacetamide) [ACD/IUPAC Name]
2,2'-{1H-Pyrazole-3,5-diylbis[(E)-2,1-éthènediyl(2-méthoxy-4,1-phénylène)oxy]}bis(N-benzylacétamide) [French] [ACD/IUPAC Name]
Acetamide, 2,2'-[1H-pyrazole-3,5-diylbis[(E)-2,1-ethenediyl(2-methoxy-4,1-phenylene)oxy]]bis[N-(phenylmethyl)- [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: 978.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 545.5±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 195.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8098.85
ACD/KOC (pH 5.5): 21838.24
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8100.29
ACD/KOC (pH 7.4): 21842.13
Polar Surface Area: 124 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 522.7±3.0 cm3

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