ChemSpider 2D Image | 3-[(3E)-5-Cyano-3-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyridinyl]propyl acetate | C30H27N5O7

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

  • Molecular FormulaC30H27N5O7
  • Average mass569.565 Da
  • Monoisotopic mass569.191040 Da
  • ChemSpider ID12001603

  • 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-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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-nitrophényl)-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: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 744.96
ACD/KOC (pH 5.5): 3957.99
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 744.96
ACD/KOC (pH 7.4): 3957.99
Polar Surface Area: 160 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 431.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement