ChemSpider 2D Image | 1-(2-{[6-(4-Morpholinyl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluoromethyl)phenyl]urea | C18H21F3N6O2

1-(2-{[6-(4-Morpholinyl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC18H21F3N6O2
  • Average mass410.393 Da
  • Monoisotopic mass410.167816 Da
  • ChemSpider ID29428466

More details:

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

1-(2-{[6-(4-Morpholinyl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-{[6-(4-Morpholinyl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-(2-{[6-(4-Morpholinyl)-4-pyrimidinyl]amino}éthyl)-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[6-(4-morpholinyl)-4-pyrimidinyl]amino]ethyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-((6-morpholinopyrimidin-4-yl)amino)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
N-(2-{[6-(4-morpholinyl)-4-pyrimidinyl]amino}ethyl)-N'-[3-(trifluoromethyl)phenyl]urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 20.19
ACD/KOC (pH 5.5): 168.12
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 141.27
ACD/KOC (pH 7.4): 1176.45
Polar Surface Area: 91 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 295.0±3.0 cm3

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