ChemSpider 2D Image | Methyl N-[(Z)-2-furyl(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]glycinate | C18H17N3O4

Methyl N-[(Z)-2-furyl(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]glycinate

  • Molecular FormulaC18H17N3O4
  • Average mass339.345 Da
  • Monoisotopic mass339.121918 Da
  • ChemSpider ID30656834

  • Double-bond stereo - Double-bond stereo

More details:

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

Glycine, N-[(Z)-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-2-furanylmethyl]-, methyl ester [ACD/Index Name]
Methyl N-[(Z)-2-furyl(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]glycinate [ACD/IUPAC Name]
Methyl-N-[(Z)-2-furyl(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]glycinat [German] [ACD/IUPAC Name]
N-[(Z)-2-Furyl(3-méthyl-5-oxo-1-phényl-1,5-dihydro-4H-pyrazol-4-ylidène)méthyl]glycinate de méthyle [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: 465.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 76.61
Polar Surface Area: 84 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 262.8±7.0 cm3

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