ChemSpider 2D Image | 4-[4-(3,4-Dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(2-fluorophenyl)-4-piperidinol | C29H33FN2O4

4-[4-(3,4-Dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(2-fluorophenyl)-4-piperidinol

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22243564

More details:

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

4-[4-(3,4-Dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(2-fluorophenyl)-4-piperidinol [ACD/IUPAC Name]
4-[4-(3,4-Diméthoxybenzyl)-2,3,4,5-tétrahydro-1,4-benzoxazépin-7-yl]-1-(2-fluorophényl)-4-pipéridinol [French] [ACD/IUPAC Name]
4-[4-(3,4-Dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(2-fluorphenyl)-4-piperidinol [German] [ACD/IUPAC Name]
4-Piperidinol, 4-[4-[(3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(2-fluorophenyl)- [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: 618.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 52.72
ACD/KOC (pH 5.5): 289.36
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 582.66
ACD/KOC (pH 7.4): 3198.19
Polar Surface Area: 54 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

Click to predict properties on the Chemicalize site


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