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

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

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID15470664

More details:

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

Benzamide, N-[2-[1-(4-bromophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl]-4-fluoro- [ACD/Index Name]
N-{2-[1-(4-Bromophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}-4-fluorobenzamide [ACD/IUPAC Name]
N-{2-[1-(4-Bromophényl)-4-oxo-1,3,8-triazaspiro[4.5]déc-8-yl]éthyl}-4-fluorobenzamide [French] [ACD/IUPAC Name]
N-{2-[1-(4-Bromphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}-4-fluorbenzamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1254175/
N-[2-[1-(4-bromophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-4-fluoro-benzamide;2,2,2-trifluoroacetic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±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: 1.90
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): 0.91
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 13.07
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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