ChemSpider 2D Image | 4-(1-Benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-methylbenzyl)-2-piperazinone | C28H26N2O3

4-(1-Benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-methylbenzyl)-2-piperazinone

  • Molecular FormulaC28H26N2O3
  • Average mass438.518 Da
  • Monoisotopic mass438.194336 Da
  • ChemSpider ID24629820

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Piperazinone, 4-(2-benzofuranylcarbonyl)-1-[(4-methylphenyl)methyl]-6-(phenylmethyl)- [ACD/Index Name]
4-(1-Benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-methylbenzyl)-2-piperazinon [German] [ACD/IUPAC Name]
4-(1-Benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-methylbenzyl)-2-piperazinone [ACD/IUPAC Name]
4-(1-Benzofuran-2-ylcarbonyl)-6-benzyl-1-(4-méthylbenzyl)-2-pipérazinone [French] [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: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 608.84
ACD/KOC (pH 5.5): 3425.69
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 608.84
ACD/KOC (pH 7.4): 3425.69
Polar Surface Area: 54 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 351.9±3.0 cm3

Click to predict properties on the Chemicalize site


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