ChemSpider 2D Image | Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C21H26FN3O5

Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC21H26FN3O5
  • Average mass419.447 Da
  • Monoisotopic mass419.185638 Da
  • ChemSpider ID21921232

More details:

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

5-Pyrimidinecarboxylic acid, 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
6-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-4-(4-fluorophényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-fluorphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 7.37
ACD/KOC (pH 7.4): 49.44
Polar Surface Area: 89 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 311.1±5.0 cm3

Click to predict properties on the Chemicalize site


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