ChemSpider 2D Image | 5-({[2-(2,2-Dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-methylphenyl)-2-furamide | C33H33FN2O4

5-({[2-(2,2-Dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-methylphenyl)-2-furamide

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID22710125

More details:

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

2-Furancarboxamide, 5-[[[2-(2,2-dimethyl-1-oxopropyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy]methyl]-N-(4-methylphenyl)- [ACD/Index Name]
5-({[2-(2,2-Diméthylpropanoyl)-1-(3-fluorophényl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-N-(4-méthylphényl)-2-furamide [French] [ACD/IUPAC Name]
5-({[2-(2,2-Dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-methylphenyl)-2-furamide [ACD/IUPAC Name]
5-({[2-(2,2-Dimethylpropanoyl)-1-(3-fluorphenyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-N-(4-methylphenyl)-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: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 27001.86
ACD/KOC (pH 5.5): 51709.87
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 27002.39
ACD/KOC (pH 7.4): 51710.89
Polar Surface Area: 72 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 439.2±3.0 cm3

Click to predict properties on the Chemicalize site


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