ChemSpider 2D Image | Ethyl 1-(3-{[5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidinecarboxylate | C34H36N4O6

Ethyl 1-(3-{[5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidinecarboxylate

  • Molecular FormulaC34H36N4O6
  • Average mass596.673 Da
  • Monoisotopic mass596.263489 Da
  • ChemSpider ID21556450

More details:

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

1-(3-{[5-(2,3-Diméthylphénoxy)-2-(4-méthoxyphényl)-3-oxo-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[3-[[5-(2,3-dimethylphenoxy)-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-4-pyridazinyl]amino]benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-{[5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(3-{[5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidincarboxylat [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: 728.2±70.0 °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: 394.2±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 166.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 886.83
ACD/KOC (pH 5.5): 4483.98
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 886.83
ACD/KOC (pH 7.4): 4483.99
Polar Surface Area: 110 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 475.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement