ChemSpider 2D Image | N-Butyl-2,4-dimethoxy-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide | C32H36N4O4

N-Butyl-2,4-dimethoxy-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID2810332

More details:






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

Benzamide, N-butyl-2,4-dimethoxy-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl]- [ACD/Index Name]
N-Butyl-2,4-dimethoxy-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamid [German] [ACD/IUPAC Name]
N-Butyl-2,4-dimethoxy-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide [ACD/IUPAC Name]
N-Butyl-2,4-diméthoxy-N-(2-{[3-méthyl-1-(4-méthylphényl)-4-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5872.31
ACD/KOC (pH 5.5): 17349.94
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5872.58
ACD/KOC (pH 7.4): 17350.75
Polar Surface Area: 86 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 467.0±7.0 cm3

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