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

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

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID22710415

More details:

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

2-Furancarboxamide, 5-[[[1-(4-fluorophenyl)-1,2,3,4-tetrahydro-2-(2-methyl-1-oxopropyl)-7-isoquinolinyl]oxy]methyl]-N-[(3-methylphenyl)methyl]- [ACD/Index Name]
5-({[1-(4-Fluorophényl)-2-isobutyryl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-N-(3-méthylbenzyl)-2-furamide [French] [ACD/IUPAC Name]
5-({[1-(4-Fluorophenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(3-methylbenzyl)-2-furamide [ACD/IUPAC Name]
5-({[1-(4-Fluorphenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-N-(3-methylbenzyl)-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: 722.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14925.00
ACD/KOC (pH 5.5): 33827.93
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14925.00
ACD/KOC (pH 7.4): 33827.93
Polar Surface Area: 72 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 445.2±3.0 cm3

Click to predict properties on the Chemicalize site


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