ChemSpider 2D Image | 1-[{[5-(2-Fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(isobutyl)amino]-3-isobutoxy-2-propanol | C28H38FN3O3

1-[{[5-(2-Fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(isobutyl)amino]-3-isobutoxy-2-propanol

  • Molecular FormulaC28H38FN3O3
  • Average mass483.618 Da
  • Monoisotopic mass483.289734 Da
  • ChemSpider ID22650091

More details:

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

1-[{[5-(2-Fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(isobutyl)amino]-3-isobutoxy-2-propanol [ACD/IUPAC Name]
1-[{[5-(2-Fluorophénoxy)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}(isobutyl)amino]-3-isobutoxy-2-propanol [French] [ACD/IUPAC Name]
1-[{[5-(2-Fluorphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}(isobutyl)amino]-3-isobutoxy-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(2-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl](2-methylpropyl)amino]-3-(2-methylpropoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 451.92
ACD/KOC (pH 5.5): 1198.22
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 6987.36
ACD/KOC (pH 7.4): 18526.25
Polar Surface Area: 60 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 432.4±7.0 cm3

Click to predict properties on the Chemicalize site


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