ChemSpider 2D Image | 1-(2-Fluorophenyl)-4-{4-[3-(2-hydroxyethoxy)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-piperidinol | C29H33FN2O4

1-(2-Fluorophenyl)-4-{4-[3-(2-hydroxyethoxy)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-piperidinol

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22233170

More details:

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

1-(2-Fluorophenyl)-4-{4-[3-(2-hydroxyethoxy)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-piperidinol [ACD/IUPAC Name]
1-(2-Fluorophényl)-4-{4-[3-(2-hydroxyéthoxy)benzyl]-2,3,4,5-tétrahydro-1,4-benzoxazépin-7-yl}-4-pipéridinol [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-4-{4-[3-(2-hydroxyethoxy)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-4-piperidinol [German] [ACD/IUPAC Name]
4-Piperidinol, 1-(2-fluorophenyl)-4-[2,3,4,5-tetrahydro-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1,4-benzoxazepin-7-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.5±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 22.48
ACD/KOC (pH 5.5): 147.60
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 300.28
ACD/KOC (pH 7.4): 1971.31
Polar Surface Area: 65 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

Click to predict properties on the Chemicalize site


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