ChemSpider 2D Image | 1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]urea | C25H22ClF3N6O3

1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC25H22ClF3N6O3
  • Average mass546.929 Da
  • Monoisotopic mass546.139404 Da
  • ChemSpider ID26349480

More details:

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

1-{2-Chlor-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(4-morpholinyl)-5-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{2-Chloro-4-[(5-méthyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phényl}-3-[3-(4-morpholinyl)-5-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-N'-[3-(4-morpholinyl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 133.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2080.30
ACD/KOC (pH 5.5): 7595.72
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2775.76
ACD/KOC (pH 7.4): 10135.02
Polar Surface Area: 94 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 365.0±7.0 cm3

Click to predict properties on the Chemicalize site


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