ChemSpider 2D Image | Ethyl 1-(3-{[5-(2,3-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidinecarboxylate | C33H34N4O5

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

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID21556316

More details:

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

1-(3-{[5-(2,3-Diméthylphénoxy)-3-oxo-2-phényl-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-3-oxo-2-phenyl-4-pyridazinyl]amino]benzoyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-{[5-(2,3-dimethylphenoxy)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl]amino}benzoyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(3-{[5-(2,3-dimethylphenoxy)-3-oxo-2-phenyl-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: 1.2±0.1 g/cm3
Boiling Point: 694.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.7±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1140.06
ACD/KOC (pH 5.5): 5367.19
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1140.06
ACD/KOC (pH 7.4): 5367.19
Polar Surface Area: 101 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 453.5±7.0 cm3

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