ChemSpider 2D Image | 2-[3-(2,4-Difluorobenzyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-N-[(3-methyl-2-thienyl)methyl]acetamide | C22H26F2N2O2S

2-[3-(2,4-Difluorobenzyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-N-[(3-methyl-2-thienyl)methyl]acetamide

  • Molecular FormulaC22H26F2N2O2S
  • Average mass420.516 Da
  • Monoisotopic mass420.168304 Da
  • ChemSpider ID30405096

More details:

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

2-[3-(2,4-Difluorbenzyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-N-[(3-methyl-2-thienyl)methyl]acetamid [German] [ACD/IUPAC Name]
2-[3-(2,4-Difluorobenzyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-N-[(3-methyl-2-thienyl)methyl]acetamide [ACD/IUPAC Name]
2-[3-(2,4-Difluorobenzyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-N-[(3-méthyl-2-thiényl)méthyl]acétamide [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-acetamide, 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-N-[(3-methyl-2-thienyl)methyl]- [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: 612.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 50.77
ACD/KOC (pH 7.4): 358.96
Polar Surface Area: 81 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 322.6±3.0 cm3

Click to predict properties on the Chemicalize site


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