ChemSpider 2D Image | 4-{(1E)-2-Cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propen-1-yl}-2-ethoxyphenyl (2E)-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}acrylate | C35H32N2O7

4-{(1E)-2-Cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propen-1-yl}-2-ethoxyphenyl (2E)-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}acrylate

  • Molecular FormulaC35H32N2O7
  • Average mass592.638 Da
  • Monoisotopic mass592.220947 Da
  • ChemSpider ID12142906

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-Méthoxy-4-[(2-méthylbenzyl)oxy]phényl}acrylate de 4-{(1E)-2-cyano-3-[(2-furylméthyl)amino]-3-oxo-1-propén-1-yl}-2-éthoxyphényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-, 4-[(1E)-2-cyano-3-[(2-furanylmethyl)amino]-3-oxo-1-propen-1-yl]-2-ethoxyphenyl ester, (2E)- [ACD/Index Name]
4-{(1E)-2-Cyan-3-[(2-furylmethyl)amino]-3-oxo-1-propen-1-yl}-2-ethoxyphenyl-(2E)-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}acrylat [German] [ACD/IUPAC Name]
4-{(1E)-2-Cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propen-1-yl}-2-ethoxyphenyl (2E)-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}acrylate [ACD/IUPAC Name]
4-{(1E)-2-Cyano-3-[(2-furylmethyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenyl (2E)-3-{3-methoxy-4-[(2-methylbenzyl)oxy]phenyl}acrylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 829.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.7±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9140.62
ACD/KOC (pH 5.5): 23815.29
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9139.82
ACD/KOC (pH 7.4): 23813.22
Polar Surface Area: 120 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 478.0±3.0 cm3

Click to predict properties on the Chemicalize site


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