ChemSpider 2D Image | (1S)-7-Fluoro-1-[3-methoxy-4-(pentyloxy)phenyl]-2-[2-(4-morpholinyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C29H33FN2O6

(1S)-7-Fluoro-1-[3-methoxy-4-(pentyloxy)phenyl]-2-[2-(4-morpholinyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC29H33FN2O6
  • Average mass524.581 Da
  • Monoisotopic mass524.232239 Da
  • ChemSpider ID62469607

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-7-Fluor-1-[3-methoxy-4-(pentyloxy)phenyl]-2-[2-(4-morpholinyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
(1S)-7-Fluoro-1-[3-methoxy-4-(pentyloxy)phenyl]-2-[2-(4-morpholinyl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
(1S)-7-Fluoro-1-[3-méthoxy-4-(pentyloxy)phényl]-2-[2-(4-morpholinyl)éthyl]-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 7-fluoro-1,2-dihydro-1-[3-methoxy-4-(pentyloxy)phenyl]-2-[2-(4-morpholinyl)ethyl]-, (1S)- [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: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 48.76
ACD/KOC (pH 5.5): 248.47
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 711.41
ACD/KOC (pH 7.4): 3625.06
Polar Surface Area: 78 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

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