ChemSpider 2D Image | 4-Bromo-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamide | C22H24BrFN4O2

4-Bromo-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamide

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID29413486

More details:






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

4-Brom-N-{2-[1-(3-fluorphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamide [ACD/IUPAC Name]
4-Bromo-N-{2-[1-(3-fluorophényl)-4-oxo-1,3,8-triazaspiro[4.5]déc-8-yl]éthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl]- [ACD/Index Name]
10.1021/jm301782e

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 710.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 13.14
Polar Surface Area: 65 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 315.2±5.0 cm3

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