ChemSpider 2D Image | Methyl (2E)-2-(2-{[(Z)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate | C26H30N4O6

Methyl (2E)-2-(2-{[(Z)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate

  • Molecular FormulaC26H30N4O6
  • Average mass494.540 Da
  • Monoisotopic mass494.216522 Da
  • ChemSpider ID21173904

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-{[(Z)-1-[3-(3,5-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-(diméthylamino)vinyl]oxy}phényl)-3-(diméthylamino)acrylate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[[(Z)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)ethenyl]oxy]-α-[(dimethylamino)methylene]-, methyl ester, (αE)- [ACD/Index Name]
Methyl (2E)-2-(2-{[(Z)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate [ACD/IUPAC Name]
Methyl-(2E)-2-(2-{[(Z)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylat [German] [ACD/IUPAC 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: 640.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1760.81
ACD/KOC (pH 5.5): 7004.34
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2057.90
ACD/KOC (pH 7.4): 8186.14
Polar Surface Area: 99 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 413.0±3.0 cm3

Click to predict properties on the Chemicalize site


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