ChemSpider 2D Image | 1-(2-{[6-(1H-Pyrrol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluoromethyl)phenyl]urea | C18H17F3N6O

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

  • Molecular FormulaC18H17F3N6O
  • Average mass390.362 Da
  • Monoisotopic mass390.141602 Da
  • ChemSpider ID30674817

More details:

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

1-(2-{[6-(1H-Pyrrol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-{[6-(1H-Pyrrol-1-yl)-4-pyrimidinyl]amino}ethyl)-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-(2-{[6-(1H-Pyrrol-1-yl)-4-pyrimidinyl]amino}éthyl)-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[6-(1H-pyrrol-1-yl)-4-pyrimidinyl]amino]ethyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-((6-(1H-pyrrol-1-yl)pyrimidin-4-yl)amino)ethyl)-3-(3-(trifluoromethyl)phenyl)urea
1396843-26-7 [RN]
3-(2-{[6-(1H-pyrrol-1-yl)pyrimidin-4-yl]amino}ethyl)-1-[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: 553.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.7±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.91
ACD/KOC (pH 5.5): 1582.00
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.98
ACD/KOC (pH 7.4): 1582.51
Polar Surface Area: 84 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

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