ChemSpider 2D Image | 2-{4-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenoxy}-N,N-diethylacetamide | C34H35N3O10

2-{4-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenoxy}-N,N-diethylacetamide

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID117953062

More details:

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

2-{4-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenoxy}-N,N-diethylacetamid [German] [ACD/IUPAC Name]
2-{4-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-ethoxyphenoxy}-N,N-diethylacetamide [ACD/IUPAC Name]
2-{4-[1-(2,3-Dihydro-1,4-benzodioxin-2-ylméthyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-éthoxyphénoxy}-N,N-diéthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dihydro-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-1H-pyrrol-2-yl]-2-ethoxyphenoxy]-N,N-diethyl- [ACD/Index 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: 837.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.2±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 9.29
ACD/KOC (pH 5.5): 86.87
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 161 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 479.0±3.0 cm3

Click to predict properties on the Chemicalize site


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