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

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

  • Molecular FormulaC32H39N3O4
  • Average mass529.670 Da
  • Monoisotopic mass529.294067 Da
  • ChemSpider ID22692708

More details:

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

1-(Benzyloxy)-3-(isobutyl{[5-(3-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}amino)-2-propanol [ACD/IUPAC Name]
1-(Benzyloxy)-3-(isobutyl{[5-(3-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}amino)-2-propanol [German] [ACD/IUPAC Name]
1-(Benzyloxy)-3-(isobutyl{[5-(3-méthoxyphénoxy)-1-méthyl-3-phényl-1H-pyrazol-4-yl]méthyl}amino)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[[5-(3-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl](2-methylpropyl)amino]-3-(phenylmethoxy)- [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: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 155.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2100.42
ACD/KOC (pH 5.5): 4145.08
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21420.64
ACD/KOC (pH 7.4): 42272.66
Polar Surface Area: 69 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 472.5±7.0 cm3

Click to predict properties on the Chemicalize site


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