ChemSpider 2D Image | 1-Benzyl-1-{[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorophenyl)urea | C30H22ClF3N2O2

1-Benzyl-1-{[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorophenyl)urea

  • Molecular FormulaC30H22ClF3N2O2
  • Average mass534.956 Da
  • Monoisotopic mass534.132202 Da
  • ChemSpider ID8025769

More details:






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

1-Benzyl-1-{[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorophenyl)urea [ACD/IUPAC Name]
1-Benzyl-1-{[3-(4-chlorophényl)-5-méthyl-1-benzofuran-2-yl]méthyl}-3-(2,4,6-trifluorophényl)urée [French] [ACD/IUPAC Name]
1-Benzyl-1-{[3-(4-chlorphenyl)-5-methyl-1-benzofuran-2-yl]methyl}-3-(2,4,6-trifluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl]-N-(phenylmethyl)-N'-(2,4,6-trifluorophenyl)- [ACD/Index Name]
146011-65-6 [RN]
FR145237

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.6±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 188280.17
ACD/KOC (pH 5.5): 207622.80
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 187612.20
ACD/KOC (pH 7.4): 206886.20
Polar Surface Area: 45 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

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