ChemSpider 2D Image | 1-Benzyl-3-(5-methyl-2-{2-oxo-3-[4-(trifluoromethoxy)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)urea | C27H27F3N4O3

1-Benzyl-3-(5-methyl-2-{2-oxo-3-[4-(trifluoromethoxy)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)urea

  • Molecular FormulaC27H27F3N4O3
  • Average mass512.523 Da
  • Monoisotopic mass512.203552 Da
  • ChemSpider ID22853561

More details:

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

1-Benzyl-3-(5-methyl-2-{2-oxo-3-[4-(trifluormethoxy)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(5-methyl-2-{2-oxo-3-[4-(trifluoromethoxy)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)urea [ACD/IUPAC Name]
1-Benzyl-3-(5-méthyl-2-{2-oxo-3-[4-(trifluorométhoxy)benzyl]tétrahydro-1(2H)-pyrimidinyl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[5-methyl-2-[tetrahydro-2-oxo-3-[[4-(trifluoromethoxy)phenyl]methyl]-1(2H)-pyrimidinyl]phenyl]-N'-(phenylmethyl)- [ACD/Index Name]
N-benzyl-N'-{5-methyl-2-[2-oxo-3-[4-(trifluoromethoxy)benzyl]tetrahydro-1(2H)-pyrimidinyl]phenyl}urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3280.63
ACD/KOC (pH 5.5): 11436.08
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3281.65
ACD/KOC (pH 7.4): 11439.65
Polar Surface Area: 74 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 386.8±3.0 cm3

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