ChemSpider 2D Image | 2-{2-[(3E)-5-Cyano-3-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]ethoxy}ethyl acetate | C29H25FN4O5

2-{2-[(3E)-5-Cyano-3-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]ethoxy}ethyl acetate

  • Molecular FormulaC29H25FN4O5
  • Average mass528.531 Da
  • Monoisotopic mass528.180908 Da
  • ChemSpider ID12001740

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{2-[(3E)-5-Cyan-3-{[3-(4-fluorphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]ethoxy}ethyl-acetat [German] [ACD/IUPAC Name]
2-{2-[(3E)-5-Cyano-3-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]ethoxy}ethyl acetate [ACD/IUPAC Name]
2-{2-[(3E)-5-Cyano-3-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]ethoxy}ethyl acetate
3-Pyridinecarbonitrile, 1-[2-[2-(acetyloxy)ethoxy]ethyl]-5-[[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-, (5E)- [ACD/Index Name]
Acétate de 2-{2-[(3E)-5-cyano-3-{[3-(4-fluorophényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-4-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]éthoxy}éthyle [French] [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: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 488.09
ACD/KOC (pH 5.5): 2924.36
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 488.09
ACD/KOC (pH 7.4): 2924.36
Polar Surface Area: 115 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 413.7±7.0 cm3

Click to predict properties on the Chemicalize site


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