ChemSpider 2D Image | 1-(Isobutyl{[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-(2-methylphenoxy)-2-propanol | C32H39N3O4

1-(Isobutyl{[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-(2-methylphenoxy)-2-propanol

  • Molecular FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID22692990

More details:

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

1-(Isobutyl{[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-(2-methylphenoxy)-2-propanol [ACD/IUPAC Name]
1-(Isobutyl{[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}amino)-3-(2-methylphenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-(Isobutyl{[5-(4-méthoxyphénoxy)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}amino)-3-(2-méthylphénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl](2-methylpropyl)amino]-3-(2-methylphenoxy)- [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.44
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1152.26
ACD/KOC (pH 5.5): 2396.50
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 16680.15
ACD/KOC (pH 7.4): 34691.81
Polar Surface Area: 69 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 471.6±7.0 cm3

Click to predict properties on the Chemicalize site


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