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

1-(3-Methoxyphenyl)-3-(5-methyl-2-{2-oxo-3-[3-(trifluoromethyl)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)urea

  • Molecular FormulaC27H27F3N4O3
  • Average mass512.523 Da
  • Monoisotopic mass512.203552 Da
  • ChemSpider ID22853372

More details:

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

1-(3-Methoxyphenyl)-3-(5-methyl-2-{2-oxo-3-[3-(trifluormethyl)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-Methoxyphenyl)-3-(5-methyl-2-{2-oxo-3-[3-(trifluoromethyl)benzyl]tetrahydro-1(2H)-pyrimidinyl}phenyl)urea [ACD/IUPAC Name]
1-(3-Méthoxyphényl)-3-(5-méthyl-2-{2-oxo-3-[3-(trifluorométhyl)benzyl]tétrahydro-1(2H)-pyrimidinyl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-(3-methoxyphenyl)-N'-[5-methyl-2-[tetrahydro-2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1(2H)-pyrimidinyl]phenyl]- [ACD/Index 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: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6729.02
ACD/KOC (pH 5.5): 19124.89
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6731.13
ACD/KOC (pH 7.4): 19130.88
Polar Surface Area: 74 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 381.8±3.0 cm3

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