Found 104 results

Search term: MF = 'C_{22}H_{16}F_{3}N_{5}O_{4}'
ChemSpider 2D Image | Ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate | C22H16F3N5O4

Ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

  • Molecular FormulaC22H16F3N5O4
  • Average mass471.389 Da
  • Monoisotopic mass471.115448 Da
  • ChemSpider ID29077110

More details:

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

[6-Carbamoyl-2-(2,3-difluorophényl)-9-(4-fluorophényl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 6-(aminocarbonyl)-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8,9-dihydro-8-oxo-, ethyl ester [ACD/Index Name]
Ethyl [6-carbamoyl-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate [ACD/IUPAC Name]
Ethyl-[6-carbamoyl-2-(2,3-difluorphenyl)-9-(4-fluorphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetat [German] [ACD/IUPAC Name]
ethyl [6-(aminocarbonyl)-2-(2,3-difluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 575.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.68
ACD/KOC (pH 5.5): 249.60
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.68
ACD/KOC (pH 7.4): 249.60
Polar Surface Area: 119 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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