ChemSpider 2D Image | 7-Hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one | C22H20F3NO5

7-Hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one

  • Molecular FormulaC22H20F3NO5
  • Average mass435.393 Da
  • Monoisotopic mass435.129364 Da
  • ChemSpider ID21477822

More details:

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

4H-1-Benzopyran-4-one, 8-[(dihydro-2H-1,3-oxazin-3(4H)-yl)methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)- [ACD/Index Name]
7-Hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ylmethyl)-2-(trifluormethyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-(2-methoxyphenyl)-8-(1,3-oxazinan-3-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one [ACD/IUPAC Name]
7-Hydroxy-3-(2-méthoxyphényl)-8-(1,3-oxazinan-3-ylméthyl)-2-(trifluorométhyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
7-Hydroxy-3-(2-methoxy-phenyl)-8-[1,3]oxazinan-3-ylmethyl-2-trifluoromethyl-chromen-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 286.2±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 140.71
ACD/KOC (pH 5.5): 847.24
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 53.95
ACD/KOC (pH 7.4): 324.87
Polar Surface Area: 68 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 310.2±3.0 cm3

Click to predict properties on the Chemicalize site


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