ChemSpider 2D Image | 5-(2,3-Dimethylphenoxy)-4-({4-[(4-ethyl-1-piperazinyl)carbonyl]phenyl}amino)-2-(4-methoxyphenyl)-3(2H)-pyridazinone | C32H35N5O4

5-(2,3-Dimethylphenoxy)-4-({4-[(4-ethyl-1-piperazinyl)carbonyl]phenyl}amino)-2-(4-methoxyphenyl)-3(2H)-pyridazinone

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID21556464

More details:

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

3(2H)-Pyridazinone, 5-(2,3-dimethylphenoxy)-4-[[4-[(4-ethyl-1-piperazinyl)carbonyl]phenyl]amino]-2-(4-methoxyphenyl)- [ACD/Index Name]
5-(2,3-Dimethylphenoxy)-4-({4-[(4-ethyl-1-piperazinyl)carbonyl]phenyl}amino)-2-(4-methoxyphenyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
5-(2,3-Dimethylphenoxy)-4-({4-[(4-ethyl-1-piperazinyl)carbonyl]phenyl}amino)-2-(4-methoxyphenyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
5-(2,3-Diméthylphénoxy)-4-({4-[(4-éthyl-1-pipérazinyl)carbonyl]phényl}amino)-2-(4-méthoxyphényl)-3(2H)-pyridazinone [French] [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: 698.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 159.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 28.27
ACD/KOC (pH 5.5): 169.06
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 406.51
ACD/KOC (pH 7.4): 2430.83
Polar Surface Area: 87 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 450.1±7.0 cm3

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