ChemSpider 2D Image | 6-Fluoro-3-{1-[(1-{[4-(trifluoromethyl)phenyl]sulfonyl}-4-piperidinyl)methyl]-4-piperidinyl}-1,2-benzoxazole | C25H27F4N3O3S

6-Fluoro-3-{1-[(1-{[4-(trifluoromethyl)phenyl]sulfonyl}-4-piperidinyl)methyl]-4-piperidinyl}-1,2-benzoxazole

  • Molecular FormulaC25H27F4N3O3S
  • Average mass525.559 Da
  • Monoisotopic mass525.170898 Da
  • ChemSpider ID34449871

More details:

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

1,2-Benzisoxazole, 6-fluoro-3-[1-[[1-[[4-(trifluoromethyl)phenyl]sulfonyl]-4-piperidinyl]methyl]-4-piperidinyl]- [ACD/Index Name]
6-Fluor-3-{1-[(1-{[4-(trifluormethyl)phenyl]sulfonyl}-4-piperidinyl)methyl]-4-piperidinyl}-1,2-benzoxazol [German] [ACD/IUPAC Name]
6-Fluoro-3-{1-[(1-{[4-(trifluoromethyl)phenyl]sulfonyl}-4-piperidinyl)methyl]-4-piperidinyl}-1,2-benzoxazole [ACD/IUPAC Name]
6-Fluoro-3-{1-[(1-{[4-(trifluorométhyl)phényl]sulfonyl}-4-pipéridinyl)méthyl]-4-pipéridinyl}-1,2-benzoxazole [French] [ACD/IUPAC Name]
6-Fluoro-3-(1-((1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-
6-Fluoro-3-(1-((1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)methyl)piperidin-4-yl)benzo[d]isoxazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 15.71
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 171.89
ACD/KOC (pH 7.4): 707.99
Polar Surface Area: 75 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

Click to predict properties on the Chemicalize site


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