ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C31H36N2O7

Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC31H36N2O7
  • Average mass548.627 Da
  • Monoisotopic mass548.252258 Da
  • ChemSpider ID35147521

More details:

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

3-(3-Hydroxy-6-{[4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-β-[4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-(3-hydroxy-6-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-2-yl)-3-(4-((2-methylallyl)oxy)phenyl)propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 28.35
ACD/KOC (pH 5.5): 142.95
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 417.78
ACD/KOC (pH 7.4): 2106.17
Polar Surface Area: 98 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

Click to predict properties on the Chemicalize site


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