ChemSpider 2D Image | N-{1-[2-(2-Fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]propyl}-4-methoxybenzamide | C29H33FN2O4

N-{1-[2-(2-Fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]propyl}-4-methoxybenzamide

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID21564704

More details:

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

Benzamide, N-[1-[2-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]propyl]-4-methoxy- [ACD/Index Name]
N-{1-[2-(2-Fluorbenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl]propyl}-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-{1-[2-(2-Fluorobenzyl)-6,7-diméthoxy-1,2,3,4-tétrahydro-1-isoquinoléinyl]propyl}-4-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{1-[2-(2-Fluorobenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]propyl}-4-methoxybenzamide [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: 631.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1226.13
ACD/KOC (pH 5.5): 3898.21
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4387.87
ACD/KOC (pH 7.4): 13950.30
Polar Surface Area: 60 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement