ChemSpider 2D Image | N~2~-{[4-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-N-[4-(trifluoromethoxy)phenyl]glycinamide | C22H23F3N2O6S

N2-{[4-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-N-[4-(trifluoromethoxy)phenyl]glycinamide

  • Molecular FormulaC22H23F3N2O6S
  • Average mass500.488 Da
  • Monoisotopic mass500.122894 Da
  • ChemSpider ID81132179

More details:

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

2H-Thiopyran-4-acetamide, tetrahydro-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]- [ACD/Index Name]
N2-{[4-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-N-[4-(trifluormethoxy)phenyl]glycinamid [German] [ACD/IUPAC Name]
N2-{[4-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-N-[4-(trifluoromethoxy)phenyl]glycinamide [ACD/IUPAC Name]
N2-{2-[4-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)tétrahydro-2H-thiopyrane-4-yl]acétyl}-N-[4-(trifluorométhoxy)phényl]glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 744.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.0±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.13
ACD/KOC (pH 5.5): 308.85
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.68
ACD/KOC (pH 7.4): 273.06
Polar Surface Area: 139 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

Click to predict properties on the Chemicalize site


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