ChemSpider 2D Image | Ethyl 1-(4-methoxyphenyl)-5-(4-{4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate | C33H32N4O5

Ethyl 1-(4-methoxyphenyl)-5-(4-{4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC33H32N4O5
  • Average mass564.631 Da
  • Monoisotopic mass564.237244 Da
  • ChemSpider ID22748635

More details:

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

1-(4-Méthoxyphényl)-5-(4-{4-[(3-méthyl-1-benzofuran-2-yl)carbonyl]-1-pipérazinyl}phényl)-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-(4-methoxyphenyl)-5-[4-[4-[(3-methyl-2-benzofuranyl)carbonyl]-1-piperazinyl]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-methoxyphenyl)-5-(4-{4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}phenyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-methoxyphenyl)-5-(4-{4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1-piperazinyl}phenyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 159.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2288.14
ACD/KOC (pH 5.5): 8833.61
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2291.36
ACD/KOC (pH 7.4): 8846.05
Polar Surface Area: 90 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 440.3±7.0 cm3

Click to predict properties on the Chemicalize site


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