ChemSpider 2D Image | N-Benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl]-N-methylacetamide | C23H22FN5O2

N-Benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl]-N-methylacetamide

  • Molecular FormulaC23H22FN5O2
  • Average mass419.452 Da
  • Monoisotopic mass419.175751 Da
  • ChemSpider ID24696618

More details:

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

9H-Purine-9-acetamide, 7-(2-fluoroethyl)-7,8-dihydro-N-methyl-8-oxo-2-phenyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-[7-(2-fluorethyl)-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[7-(2-fluoroethyl)-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl]-N-methylacetamide [ACD/IUPAC Name]
N-Benzyl-2-[7-(2-fluoroéthyl)-8-oxo-2-phényl-7,8-dihydro-9H-purin-9-yl]-N-méthylacétamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476607/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.3±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.76
ACD/KOC (pH 5.5): 536.71
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.90
ACD/KOC (pH 7.4): 538.48
Polar Surface Area: 70 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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