ChemSpider 2D Image | 6-(3,4-Dimethoxyphenyl)-2-{2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3(2H)-pyridazinone | C30H27FN4O5

6-(3,4-Dimethoxyphenyl)-2-{2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3(2H)-pyridazinone

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID58479271

More details:

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

3(2H)-Pyridazinone, 6-(3,4-dimethoxyphenyl)-2-[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]- [ACD/Index Name]
6-(3,4-Dimethoxyphenyl)-2-{2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3(2H)-pyridazinone [ACD/IUPAC Name]
6-(3,4-Diméthoxyphényl)-2-{2-[5-(4-fluorophényl)-3-(4-méthoxyphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
6-(3,4-Dimethoxyphenyl)-2-{2-[5-(4-fluorphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-(3,4-dimethoxyphenyl)-2-(2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)pyridazin-3(2H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.69
ACD/KOC (pH 5.5): 680.71
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.69
ACD/KOC (pH 7.4): 680.71
Polar Surface Area: 93 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 417.5±7.0 cm3

Click to predict properties on the Chemicalize site


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