ChemSpider 2D Image | 6-[Bis(4-fluorophenyl)methyl]-N-{1-[(trifluoromethyl)sulfonyl]-4-piperidinyl}-4-cinnolinamine | C27H23F5N4O2S

6-[Bis(4-fluorophenyl)methyl]-N-{1-[(trifluoromethyl)sulfonyl]-4-piperidinyl}-4-cinnolinamine

  • Molecular FormulaC27H23F5N4O2S
  • Average mass562.554 Da
  • Monoisotopic mass562.146179 Da
  • ChemSpider ID128980273

More details:

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

4-Cinnolinamine, 6-[bis(4-fluorophenyl)methyl]-N-[1-[(trifluoromethyl)sulfonyl]-4-piperidinyl]- [ACD/Index Name]
6-[Bis(4-fluorophenyl)methyl]-N-{1-[(trifluoromethyl)sulfonyl]-4-piperidinyl}-4-cinnolinamine [ACD/IUPAC Name]
6-[Bis(4-fluorophényl)méthyl]-N-{1-[(trifluorométhyl)sulfonyl]-4-pipéridinyl}-4-cinnolinamine [French] [ACD/IUPAC Name]
6-[Bis(4-fluorphenyl)methyl]-N-{1-[(trifluormethyl)sulfonyl]-4-piperidinyl}-4-cinnolinamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 2993.46
ACD/KOC (pH 5.5): 7653.14
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9497.01
ACD/KOC (pH 7.4): 24280.29
Polar Surface Area: 84 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 381.3±5.0 cm3

Click to predict properties on the Chemicalize site


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