ChemSpider 2D Image | 5-(1-{[1-(Difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-3-fluoro-3-pyrrolidinyl)-3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazole | C16H20F3N5O4S

5-(1-{[1-(Difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-3-fluoro-3-pyrrolidinyl)-3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazole

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID71281060

More details:

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

1,2,4-Oxadiazole, 5-[1-[[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl]-3-fluoro-3-pyrrolidinyl]-3-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
5-(1-{[1-(Difluormethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-3-fluor-3-pyrrolidinyl)-3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-(1-{[1-(Difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}-3-fluoro-3-pyrrolidinyl)-3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazole [ACD/IUPAC Name]
5-(1-{[1-(Difluorométhyl)-5-méthyl-1H-pyrazol-4-yl]sulfonyl}-3-fluoro-3-pyrrolidinyl)-3-(tétrahydro-2H-pyran-4-yl)-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 574.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 95.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.91
ACD/KOC (pH 5.5): 138.84
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.91
ACD/KOC (pH 7.4): 138.84
Polar Surface Area: 112 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 258.2±7.0 cm3

Click to predict properties on the Chemicalize site


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