ChemSpider 2D Image | (2Z)-7-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-2-(4-fluorobenzylidene)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one | C29H27FN2O5

(2Z)-7-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-2-(4-fluorobenzylidene)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID24561582

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-7-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-2-(4-fluorbenzyliden)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-7-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-2-(4-fluorobenzylidene)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-7-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]méthyl}-2-(4-fluorobenzylidène)-6-hydroxy-4-méthyl-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
(2Z)-7-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-2-(4-fluorobenzylidene)-6-hydroxy-4-methyl-1-benzofuran-3(2H)-one
3(2H)-Benzofuranone, 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-[(4-fluorophenyl)methylene]-6-hydroxy-4-methyl-, (2Z)- [ACD/Index Name]
(2Z)-7-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2-[(4-fluorophenyl)methylidene]-6-hydroxy-4-methyl-2,3-dihydro-1-benzofuran-3-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 12.06
ACD/KOC (pH 5.5): 93.39
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 76.17
ACD/KOC (pH 7.4): 589.83
Polar Surface Area: 71 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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