ChemSpider 2D Image | 1-[3-(Difluoromethoxy)phenyl]-3-(2-{[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea | C19H21F2N7O2

1-[3-(Difluoromethoxy)phenyl]-3-(2-{[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID58380627

More details:

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

1-[3-(Difluormethoxy)phenyl]-3-(2-{[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}ethyl)harnstoff [German] [ACD/IUPAC Name]
1-[3-(Difluoromethoxy)phenyl]-3-(2-{[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}ethyl)urea [ACD/IUPAC Name]
1-[3-(Difluorométhoxy)phényl]-3-(2-{[6-(4,5-diméthyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino}éthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-(difluoromethoxy)phenyl]-N'-[2-[[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]
1-(3-(difluoromethoxy)phenyl)-3-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)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: 636.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.7±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 34.46
ACD/KOC (pH 5.5): 410.66
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.26
ACD/KOC (pH 7.4): 515.63
Polar Surface Area: 106 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 299.6±7.0 cm3

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