ChemSpider 2D Image | 5-({[1-(3-Fluorophenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(3-methylbutyl)-2-furamide | C29H33FN2O4

5-({[1-(3-Fluorophenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(3-methylbutyl)-2-furamide

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22710215

More details:

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

2-Furancarboxamide, 5-[[[1-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-(1-oxopropyl)-7-isoquinolinyl]oxy]methyl]-N-(3-methylbutyl)- [ACD/Index Name]
5-({[1-(3-Fluorophényl)-2-propionyl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-N-(3-méthylbutyl)-2-furamide [French] [ACD/IUPAC Name]
5-({[1-(3-Fluorophenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(3-methylbutyl)-2-furamide [ACD/IUPAC Name]
5-({[1-(3-Fluorphenyl)-2-propionyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-N-(3-methylbutyl)-2-furamid [German] [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: 657.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.2±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2402.75
ACD/KOC (pH 5.5): 9151.81
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2402.75
ACD/KOC (pH 7.4): 9151.81
Polar Surface Area: 72 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

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