ChemSpider 2D Image | 7-Ethyl-9-(4-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide | C21H15F4N5O2

7-Ethyl-9-(4-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide

  • Molecular FormulaC21H15F4N5O2
  • Average mass445.370 Da
  • Monoisotopic mass445.116180 Da
  • ChemSpider ID29076993

More details:

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

7-Ethyl-9-(4-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide [ACD/IUPAC Name]
7-Éthyl-9-(4-fluorophényl)-8-oxo-2-[4-(trifluorométhyl)phényl]-8,9-dihydro-7H-purine-6-carboxamide [French] [ACD/IUPAC Name]
7-Ethyl-9-(4-fluorphenyl)-8-oxo-2-[4-(trifluormethyl)phenyl]-8,9-dihydro-7H-purin-6-carboxamid [German] [ACD/IUPAC Name]
7H-Purine-6-carboxamide, 7-ethyl-9-(4-fluorophenyl)-8,9-dihydro-8-oxo-2-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 515.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.3±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.44
ACD/KOC (pH 5.5): 761.12
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.44
ACD/KOC (pH 7.4): 761.12
Polar Surface Area: 92 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 307.1±3.0 cm3

Click to predict properties on the Chemicalize site


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