ChemSpider 2D Image | 1-[{[3-Ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-hexanol | C29H38FN3O3

1-[{[3-Ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-hexanol

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22696339

More details:

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

1-[{[3-Ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-hexanol [ACD/IUPAC Name]
1-[{[3-Éthyl-5-(2-fluorophénoxy)-1-phényl-1H-pyrazol-4-yl]méthyl}(tétrahydro-2-furanylméthyl)amino]-2-hexanol [French] [ACD/IUPAC Name]
1-[{[3-Ethyl-5-(2-fluorphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-2-hexanol [German] [ACD/IUPAC Name]
2-Hexanol, 1-[[[3-ethyl-5-(2-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl][(tetrahydro-2-furanyl)methyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.4±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2186.97
ACD/KOC (pH 5.5): 5179.94
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12045.65
ACD/KOC (pH 7.4): 28530.66
Polar Surface Area: 60 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 422.5±7.0 cm3

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