ChemSpider 2D Image | SB234551 | C34H34N2O9

SB234551

  • Molecular FormulaC34H34N2O9
  • Average mass614.642 Da
  • Monoisotopic mass614.226440 Da
  • ChemSpider ID4470913
  • 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-[[1-butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]methylene]-6-methoxy-, (αE)- [ACD/Index Name]
2-[(2-{1-Butyl-4-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-pyrazol-5-yl}-5-methoxyphenoxy)methyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(2-{1-Butyl-4-[(1E)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-propen-1-yl]-1H-pyrazol-5-yl}-5-methoxyphenoxy)methyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2-{1-butyl-4-[(1E)-2-carboxy-3-(6-méthoxy-1,3-benzodioxol-5-yl)-1-propén-1-yl]-1H-pyrazol-5-yl}-5-méthoxyphénoxy)méthyl]benzoïque [French] [ACD/IUPAC Name]
SB234551
188257-69-4 [RN]
188257-75-2 [RN]
2-[[2-[2-butyl-4-[(E)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]pyrazol-3-yl]-5-methoxyphenoxy]methyl]benzoic acid
SB 234551
SB 234551|SB-234551
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 781.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.3±32.9 °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: 6.50
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 11.81
ACD/KOC (pH 5.5): 25.25
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
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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