ChemSpider 2D Image | 4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione | C27H32N2O8

4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione

  • Molecular FormulaC27H32N2O8
  • Average mass512.552 Da
  • Monoisotopic mass512.215881 Da
  • ChemSpider ID4361020

More details:

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

2,3-Pyrrolidinedione, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)hydroxymethylene]-1-[3-(dimethylamino)propyl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-1-[3-(dimethylamino)propyl]-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-[3-(dimethylamino)propyl]-5-(3,4,5-trimethoxyphenyl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)méthylène]-1-[3-(diméthylamino)propyl]-5-(3,4,5-triméthoxyphényl)-2,3-pyrrolidinedione [French] [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: 653.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.9±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.22
Polar Surface Area: 107 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

Click to predict properties on the Chemicalize site


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