ChemSpider 2D Image | 1-{4-[(2-{4-[2-(Diethylamino)ethyl]-4H-1,2,4-triazol-3-yl}-4-pyridinyl)oxy]-3-fluorophenyl}-3-(3,4-difluorophenyl)urea | C26H26F3N7O2

1-{4-[(2-{4-[2-(Diethylamino)ethyl]-4H-1,2,4-triazol-3-yl}-4-pyridinyl)oxy]-3-fluorophenyl}-3-(3,4-difluorophenyl)urea

  • Molecular FormulaC26H26F3N7O2
  • Average mass525.526 Da
  • Monoisotopic mass525.210022 Da
  • ChemSpider ID58876776

More details:

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

1-{4-[(2-{4-[2-(Diethylamino)ethyl]-4H-1,2,4-triazol-3-yl}-4-pyridinyl)oxy]-3-fluorophenyl}-3-(3,4-difluorophenyl)urea [ACD/IUPAC Name]
1-{4-[(2-{4-[2-(Diéthylamino)éthyl]-4H-1,2,4-triazol-3-yl}-4-pyridinyl)oxy]-3-fluorophényl}-3-(3,4-difluorophényl)urée [French] [ACD/IUPAC Name]
1-{4-[(2-{4-[2-(Diethylamino)ethyl]-4H-1,2,4-triazol-3-yl}-4-pyridinyl)oxy]-3-fluorphenyl}-3-(3,4-difluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-[[2-[4-[2-(diethylamino)ethyl]-4H-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]-N'-(3,4-difluorophenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 16.49
ACD/KOC (pH 7.4): 63.69
Polar Surface Area: 97 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 392.3±7.0 cm3

Click to predict properties on the Chemicalize site


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