ChemSpider 2D Image | Ethyl 4-methyl-6-{[2-(4-morpholinylcarbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C22H28N4O6

Ethyl 4-methyl-6-{[2-(4-morpholinylcarbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC22H28N4O6
  • Average mass444.481 Da
  • Monoisotopic mass444.200897 Da
  • ChemSpider ID30594914

More details:

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

4-Méthyl-6-{[2-(4-morpholinylcarbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 6-[[2,3-dihydro-2-(4-morpholinylcarbonyl)-4H-1,4-benzoxazin-4-yl]methyl]-1,2,3,4-tetrahydro-4-methyl-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-6-{[2-(4-morpholinylcarbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-6-{[2-(4-morpholinylcarbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]methyl}-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: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 85.73
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.50
Polar Surface Area: 109 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

Click to predict properties on the Chemicalize site


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