ChemSpider 2D Image | 4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione | C31H38N2O7

4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione

  • Molecular FormulaC31H38N2O7
  • Average mass550.643 Da
  • Monoisotopic mass550.267883 Da
  • ChemSpider ID2620890

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]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]- [ACD/Index Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylen]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-[3-(3-methylbutoxy)phenyl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[2,3-Dihydro-1,4-benzodioxin-6-yl(hydroxy)méthylène]-5-[3-(3-méthylbutoxy)phényl]-1-[3-(4-morpholinyl)propyl]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.7±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 4.13
ACD/KOC (pH 5.5): 34.66
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 77.07
ACD/KOC (pH 7.4): 646.42
Polar Surface Area: 98 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 443.6±3.0 cm3

Click to predict properties on the Chemicalize site


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