ChemSpider 2D Image | 3-[(3E)-5-Cyano-3-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]propyl acetate | C30H27FN4O5

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

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID12001612

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(3E)-5-Cyan-3-{[3-(4-ethoxy-3-fluorphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]propyl-acetat [German] [ACD/IUPAC Name]
3-[(3E)-5-Cyano-3-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]propyl acetate [ACD/IUPAC Name]
3-[(3E)-5-Cyano-3-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
3-Pyridinecarbonitrile, 1-[3-(acetyloxy)propyl]-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-, (5E)- [ACD/Index Name]
Acétate de 3-[(3E)-5-cyano-3-{[3-(4-éthoxy-3-fluorophényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-4-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]propyle [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: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1160.31
ACD/KOC (pH 5.5): 5435.26
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1160.31
ACD/KOC (pH 7.4): 5435.26
Polar Surface Area: 115 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 428.9±7.0 cm3

Click to predict properties on the Chemicalize site


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