ChemSpider 2D Image | 2,2-Difluoro-1-{4-[(5-fluoro-6-{[2-methyl-6-(methylsulfonyl)-3-pyridinyl]oxy}-4-pyrimidinyl)oxy]-1-piperidinyl}-1-butanone | C20H23F3N4O5S

2,2-Difluoro-1-{4-[(5-fluoro-6-{[2-methyl-6-(methylsulfonyl)-3-pyridinyl]oxy}-4-pyrimidinyl)oxy]-1-piperidinyl}-1-butanone

  • Molecular FormulaC20H23F3N4O5S
  • Average mass488.481 Da
  • Monoisotopic mass488.134125 Da
  • ChemSpider ID58114821

More details:

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

1-Butanone, 2,2-difluoro-1-[4-[[5-fluoro-6-[[2-methyl-6-(methylsulfonyl)-3-pyridinyl]oxy]-4-pyrimidinyl]oxy]-1-piperidinyl]- [ACD/Index Name]
2,2-Difluor-1-{4-[(5-fluor-6-{[2-methyl-6-(methylsulfonyl)-3-pyridinyl]oxy}-4-pyrimidinyl)oxy]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
2,2-Difluoro-1-{4-[(5-fluoro-6-{[2-methyl-6-(methylsulfonyl)-3-pyridinyl]oxy}-4-pyrimidinyl)oxy]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]
2,2-Difluoro-1-{4-[(5-fluoro-6-{[2-méthyl-6-(méthylsulfonyl)-3-pyridinyl]oxy}-4-pyrimidinyl)oxy]-1-pipéridinyl}-1-butanone [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: 663.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.45
ACD/KOC (pH 5.5): 291.21
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.45
ACD/KOC (pH 7.4): 291.21
Polar Surface Area: 120 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

Click to predict properties on the Chemicalize site


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