ChemSpider 2D Image | 3-(4-Morpholinylsulfonyl)benzyl (6-fluoro-4-oxo-3(4H)-quinazolinyl)acetate | C21H20FN3O6S

3-(4-Morpholinylsulfonyl)benzyl (6-fluoro-4-oxo-3(4H)-quinazolinyl)acetate

  • Molecular FormulaC21H20FN3O6S
  • Average mass461.463 Da
  • Monoisotopic mass461.105682 Da
  • ChemSpider ID30058239

More details:

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

(6-Fluoro-4-oxo-3(4H)-quinazolinyl)acétate de 3-(4-morpholinylsulfonyl)benzyle [French] [ACD/IUPAC Name]
3(4H)-Quinazolineacetic acid, 6-fluoro-4-oxo-, [3-(4-morpholinylsulfonyl)phenyl]methyl ester [ACD/Index Name]
3-(4-Morpholinylsulfonyl)benzyl (6-fluoro-4-oxo-3(4H)-quinazolinyl)acetate [ACD/IUPAC Name]
3-(4-Morpholinylsulfonyl)benzyl-(6-fluor-4-oxo-3(4H)-chinazolinyl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 671.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.1±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.07
ACD/KOC (pH 5.5): 207.04
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.07
ACD/KOC (pH 7.4): 207.04
Polar Surface Area: 114 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 313.3±7.0 cm3

Click to predict properties on the Chemicalize site


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