ChemSpider 2D Image | 4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)tetrahydro-2(1H)-pyrimidinone | C25H26F6N2O3

4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)tetrahydro-2(1H)-pyrimidinone

  • Molecular FormulaC25H26F6N2O3
  • Average mass516.476 Da
  • Monoisotopic mass516.184753 Da
  • ChemSpider ID8454934

More details:

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

2(1H)-Pyrimidinone, 4-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]tetrahydro-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
4-({[3,5-Bis(trifluormethyl)benzyl]oxy}methyl)-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)tetrahydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-4-phenyl-1-(tetrahydro-2H-pyran-4-yl)tetrahydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-({[3,5-Bis(trifluorométhyl)benzyl]oxy}méthyl)-4-phényl-1-(tétrahydro-2H-pyran-4-yl)tétrahydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.7±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8910.19
ACD/KOC (pH 5.5): 23384.01
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8910.16
ACD/KOC (pH 7.4): 23383.93
Polar Surface Area: 51 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 395.5±3.0 cm3

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