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

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

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID22710572

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-methyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-5-({[1-(4-fluorophényl)-2-isobutyryl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-N-méthyl-2-furamide [French] [ACD/IUPAC Name]
N-Benzyl-5-({[1-(4-fluorophenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-methyl-2-furamide [ACD/IUPAC Name]
N-Benzyl-5-({[1-(4-fluorphenyl)-2-isobutyryl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-N-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: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7719.06
ACD/KOC (pH 5.5): 21101.31
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7719.06
ACD/KOC (pH 7.4): 21101.31
Polar Surface Area: 63 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 443.9±3.0 cm3

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