ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C27H30N2O9

4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID12224833

More details:

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

2H-Pyrrol-2-one, 4-(1,3-benzodioxol-5-ylcarbonyl)-1,5-dihydro-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(4-morpholinyl)éthyl]-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 389.0±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 389.1±3.0 cm3

Click to predict properties on the Chemicalize site


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