ChemSpider 2D Image | 4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C28H32N2O8

4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H32N2O8
  • Average mass524.562 Da
  • Monoisotopic mass524.215881 Da
  • ChemSpider ID32079240

More details:

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

2H-Pyrrol-2-one, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-1,5-dihydro-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(1-pyrrolidinyl)ethyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(1-pyrrolidinyl)éthyl]-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[2-(pyrrolidin-1-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: 1.3±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 107 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 398.0±3.0 cm3

Click to predict properties on the Chemicalize site


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