ChemSpider 2D Image | Methyl 4-{[2-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl}-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate | C34H35N3O10

Methyl 4-{[2-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl}-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID117947499

More details:

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

4-{[2-{4-[2-(Diéthylamino)-2-oxoéthoxy]-3-éthoxyphényl}-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2,5-dihydro-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-1H-pyrrol-1-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl}-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-{4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl}-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoat [German] [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: 846.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 465.6±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 19.25
ACD/KOC (pH 5.5): 146.34
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 169 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 483.2±3.0 cm3

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