ChemSpider 2D Image | 2-{[2-(Cyclopentylcarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(dimethylamino)ethyl]butanamide | C29H38FN3O3

2-{[2-(Cyclopentylcarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(dimethylamino)ethyl]butanamide

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22709313

More details:

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

2-{[2-(Cyclopentylcarbonyl)-1-(4-fluorophényl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}-N-[2-(diméthylamino)éthyl]butanamide [French] [ACD/IUPAC Name]
2-{[2-(Cyclopentylcarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(dimethylamino)ethyl]butanamide [ACD/IUPAC Name]
2-{[2-(Cyclopentylcarbonyl)-1-(4-fluorphenyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}-N-[2-(dimethylamino)ethyl]butanamid [German] [ACD/IUPAC Name]
Butanamide, 2-[[2-(cyclopentylcarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy]-N-[2-(dimethylamino)ethyl]- [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: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 5.29
ACD/KOC (pH 5.5): 25.49
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 266.47
ACD/KOC (pH 7.4): 1283.45
Polar Surface Area: 62 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 424.9±3.0 cm3

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