ChemSpider 2D Image | 2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(1-pyrrolidinyl)ethyl]propanamide | C29H38FN3O3

2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(1-pyrrolidinyl)ethyl]propanamide

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22709248

More details:

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

2-{[1-(3-Fluorophényl)-2-(3-méthylbutanoyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}-N-[2-(1-pyrrolidinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
2-{[1-(3-Fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-[2-(1-pyrrolidinyl)ethyl]propanamide [ACD/IUPAC Name]
2-{[1-(3-Fluorphenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}-N-[2-(1-pyrrolidinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
Propanamide, 2-[[1-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-(3-methyl-1-oxobutyl)-7-isoquinolinyl]oxy]-N-[2-(1-pyrrolidinyl)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: 686.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 24.13
ACD/KOC (pH 7.4): 105.44
Polar Surface Area: 62 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 429.0±3.0 cm3

Click to predict properties on the Chemicalize site


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