ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C26H19N3O9

4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID118405846

More details:

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

2H-Pyrrol-2-one, 4-(1,3-benzodioxol-5-ylcarbonyl)-5-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-1,5-dihydro-3-hydroxy-1-(4-pyridinylmethyl)- [ACD/Index Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-ylcarbonyl)-3-hydroxy-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridinylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 775.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.9±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.48
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 327.2±3.0 cm3

Click to predict properties on the Chemicalize site


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