ChemSpider 2D Image | 2-(2-Butyl-1-{[4'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-4-yl)pyrazine | C44H38N8

2-(2-Butyl-1-{[4'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-4-yl)pyrazine

  • Molecular FormulaC44H38N8
  • Average mass678.826 Da
  • Monoisotopic mass678.321960 Da
  • ChemSpider ID8162625

More details:

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

2-(2-Butyl-1-{[4'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-4-yl)pyrazin [German] [ACD/IUPAC Name]
2-(2-Butyl-1-{[4'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-4-yl)pyrazine [ACD/IUPAC Name]
2-(2-Butyl-1-{[4'-(1-trityl-1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-imidazol-4-yl)pyrazine [French] [ACD/IUPAC Name]
Pyrazine, 2-[2-butyl-1-[[4'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-4-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 865.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.2±37.1 °C
Index of Refraction: 1.671
Molar Refractivity: 211.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1116796.63
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1163856.38
Polar Surface Area: 87 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 565.3±7.0 cm3

Click to predict properties on the Chemicalize site


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