ChemSpider 2D Image | Ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C22H29N3O6

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

  • Molecular FormulaC22H29N3O6
  • Average mass431.482 Da
  • Monoisotopic mass431.205627 Da
  • ChemSpider ID21902439

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)-1,2,3,4-tetrahydro-4-(4-methoxyphenyl)-2-oxo-, ethyl ester [ACD/Index Name]
6-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-4-(4-méthoxyphényl)-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-methoxyphenyl)-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-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-ylmethyl)-4-(4-methoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 7.88
ACD/KOC (pH 7.4): 51.44
Polar Surface Area: 98 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement