ChemSpider 2D Image | (2E)-1-{4-[Bis(4-methoxyphenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one | C31H36N2O5

(2E)-1-{4-[Bis(4-methoxyphenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC31H36N2O5
  • Average mass516.628 Da
  • Monoisotopic mass516.262451 Da
  • ChemSpider ID30657639

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-{4-[Bis(4-methoxyphenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-methoxyphenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-méthoxyphényl)méthyl]-1-pipérazinyl}-3-(4-éthoxy-3-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[bis(4-methoxyphenyl)methyl]-1-piperazinyl]-3-(4-ethoxy-3-methoxyphenyl)-, (2E)- [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: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 615.19
ACD/KOC (pH 5.5): 2812.97
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1246.71
ACD/KOC (pH 7.4): 5700.61
Polar Surface Area: 60 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 443.3±3.0 cm3

Click to predict properties on the Chemicalize site


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