ChemSpider 2D Image | N~2~-(4-Fluorophenyl)-N~4~-{4-[5-(2-furyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-N~6~-phenyl-1,3,5-triazine-2,4,6-triamine | C28H22FN7O2

N2-(4-Fluorophenyl)-N4-{4-[5-(2-furyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-N6-phenyl-1,3,5-triazine-2,4,6-triamine

  • Molecular FormulaC28H22FN7O2
  • Average mass507.518 Da
  • Monoisotopic mass507.181915 Da
  • ChemSpider ID9780619

More details:

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

1,3,5-Triazine-2,4,6-triamine, N2-(4-fluorophenyl)-N4-[4-[5-(2-furanyl)-4,5-dihydro-3-isoxazolyl]phenyl]-N6-phenyl- [ACD/Index Name]
N2-(4-Fluorophenyl)-N4-{4-[5-(2-furyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-N6-phenyl-1,3,5-triazine-2,4,6-triamine [ACD/IUPAC Name]
N2-(4-Fluorophényl)-N4-{4-[5-(2-furyl)-4,5-dihydro-1,2-oxazol-3-yl]phényl}-N6-phényl-1,3,5-triazine-2,4,6-triamine [French] [ACD/IUPAC Name]
N2-(4-Fluorphenyl)-N4-{4-[5-(2-furyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl}-N6-phenyl-1,3,5-triazin-2,4,6-triamin [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7221.85
ACD/KOC (pH 5.5): 20102.03
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7243.37
ACD/KOC (pH 7.4): 20161.91
Polar Surface Area: 109 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 360.4±7.0 cm3

Click to predict properties on the Chemicalize site


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