ChemSpider 2D Image | 1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-2-(2-pyridinyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C29H27FN2O5

1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-2-(2-pyridinyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID3896275

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-1,2-dihydro-2-(2-pyridinyl)- [ACD/Index Name]
1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-7-fluor-2-(2-pyridinyl)-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-2-(2-pyridinyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-[3-Éthoxy-4-(3-méthylbutoxy)phényl]-7-fluoro-2-(2-pyridinyl)-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
1-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1375.01
ACD/KOC (pH 5.5): 6105.29
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1400.43
ACD/KOC (pH 7.4): 6218.19
Polar Surface Area: 78 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 375.3±5.0 cm3

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