ChemSpider 2D Image | 2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-(2-furylmethyl)-N-methylpropanamide | C29H33FN2O4

2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-(2-furylmethyl)-N-methylpropanamide

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22709158

More details:

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

2-{[1-(3-Fluorophényl)-2-(3-méthylbutanoyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}-N-(2-furylméthyl)-N-méthylpropanamide [French] [ACD/IUPAC Name]
2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-(2-furylmethyl)-N-methylpropanamide [ACD/IUPAC Name]
2-{[1-(3-Fluorphenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}-N-(2-furylmethyl)-N-methylpropanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[1-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-(3-methyl-1-oxobutyl)-7-isoquinolinyl]oxy]-N-(2-furanylmethyl)-N-methyl- [ACD/Index 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: 648.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1359.37
ACD/KOC (pH 5.5): 6087.55
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1359.37
ACD/KOC (pH 7.4): 6087.55
Polar Surface Area: 63 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 415.1±3.0 cm3

Click to predict properties on the Chemicalize site


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