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

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

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID22709899

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-(3-methyl-1-oxobutyl)-7-isoquinolinyl]oxy]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-5-({[1-(4-fluorophényl)-2-(3-méthylbutanoyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-2-furamide [French] [ACD/IUPAC Name]
N-Benzyl-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide [ACD/IUPAC Name]
N-Benzyl-5-({[1-(4-fluorphenyl)-2-(3-methylbutanoyl)-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: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14537.82
ACD/KOC (pH 5.5): 33197.46
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14537.82
ACD/KOC (pH 7.4): 33197.46
Polar Surface Area: 72 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

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