ChemSpider 2D Image | 2-[(2-{2-Butyl-5-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-imidazol-1-yl}-5-methoxyphenoxy)methyl]benzoic acid | C34H34N2O9

2-[(2-{2-Butyl-5-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-imidazol-1-yl}-5-methoxyphenoxy)methyl]benzoic acid

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID8479897

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzodioxole-5-propanoic acid, α-[[2-butyl-1-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-imidazol-5-yl]methylene]-6-methoxy-, (αE)- [ACD/Index Name]
2-[(2-{2-Butyl-5-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-imidazol-1-yl}-5-methoxyphenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(2-{2-Butyl-5-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-imidazol-1-yl}-5-methoxyphenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2-{2-butyl-5-[(1E)-2-carboxy-3-(6-méthoxy-1,3-benzodioxol-5-yl)-1-propén-1-yl]-1H-imidazol-1-yl}-5-méthoxyphénoxy)méthyl]benzoïque [French] [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: 822.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 450.9±37.1 °C
Index of Refraction: 1.611
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 10.36
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.18
Polar Surface Area: 139 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 470.6±7.0 cm3

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