ChemSpider 2D Image | 1-(4-Fluoro-2-methoxyphenyl)-3-{[(3S,5R)-3-(hydroxymethyl)-5-methyl-3-morpholinyl]methyl}urea | C15H22FN3O4

1-(4-Fluoro-2-methoxyphenyl)-3-{[(3S,5R)-3-(hydroxymethyl)-5-methyl-3-morpholinyl]methyl}urea

  • Molecular FormulaC15H22FN3O4
  • Average mass327.351 Da
  • Monoisotopic mass327.159424 Da
  • ChemSpider ID71033859

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-Fluor-2-methoxyphenyl)-3-{[(3S,5R)-3-(hydroxymethyl)-5-methyl-3-morpholinyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Fluoro-2-methoxyphenyl)-3-{[(3S,5R)-3-(hydroxymethyl)-5-methyl-3-morpholinyl]methyl}urea [ACD/IUPAC Name]
1-(4-Fluoro-2-méthoxyphényl)-3-{[(3S,5R)-3-(hydroxyméthyl)-5-méthyl-3-morpholinyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-(4-fluoro-2-methoxyphenyl)-N'-[[(3S,5R)-3-(hydroxymethyl)-5-methyl-3-morpholinyl]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 229.1±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 41.62
Polar Surface Area: 92 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 266.1±3.0 cm3

Click to predict properties on the Chemicalize site


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