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

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

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22710467

More details:

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

2-Furancarboxamide, N,N-diethyl-5-[[[1-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-(2-methyl-1-oxopropyl)-7-isoquinolinyl]oxy]methyl]- [ACD/Index Name]
N,N-Diéthyl-5-({[1-(3-fluorophényl)-2-isobutyryl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-2-furamide [French] [ACD/IUPAC Name]
N,N-Diethyl-5-({[1-(3-fluorophenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide [ACD/IUPAC Name]
N,N-Diethyl-5-({[1-(3-fluorphenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-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: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1148.51
ACD/KOC (pH 5.5): 5395.64
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1148.51
ACD/KOC (pH 7.4): 5395.64
Polar Surface Area: 63 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

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