ChemSpider 2D Image | Ethyl (5-{5-hydroxy-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)acetate | C27H30N2O9

Ethyl (5-{5-hydroxy-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)acetate

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID23285579

More details:

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

(5-{5-Hydroxy-7-[2-(4-méthyl-1-pipérazinyl)-2-oxoéthoxy]-4-oxo-4H-chromén-2-yl}-2-méthoxyphénoxy)acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[5-[5-hydroxy-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenoxy]-, ethyl ester [ACD/Index Name]
Ethyl (5-{5-hydroxy-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)acetate [ACD/IUPAC Name]
ethyl (5-{5-hydroxy-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)acetate
Ethyl-(5-{5-hydroxy-7-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)acetat [German] [ACD/IUPAC Name]
ethyl 2-(5-(5-hydroxy-7-(2-(4-methylpiperazin-1-yl)-2-oxoethoxy)-4-oxo-4H-chromen-2-yl)-2-methoxyphenoxy)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 18.98
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.42
ACD/KOC (pH 7.4): 19.03
Polar Surface Area: 124 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 397.5±3.0 cm3

Click to predict properties on the Chemicalize site


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