ChemSpider 2D Image | Ethyl 4-{[3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate | C34H35N3O10

Ethyl 4-{[3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID117941411

More details:

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

4-{[3-Hydroxy-5-{3-méthoxy-4-[2-(4-morpholinyl)éthoxy]phényl}-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]méthyl}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2,5-dihydro-3-hydroxy-5-[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-4-(4-nitrobenzoyl)-2-oxo-1H-pyrrol-1-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]methyl}benzoate [ACD/IUPAC Name]
Ethyl-4-{[3-hydroxy-5-{3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl}-4-(4-nitrobenzoyl)-2-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: 1.4±0.1 g/cm3
Boiling Point: 844.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 464.4±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 18.86
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.61
Polar Surface Area: 161 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

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