ChemSpider 2D Image | TCMDC-133494 | C28H33F3N2O3

TCMDC-133494

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID24573457

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-{4-[4-(2-Methoxyphenyl)-1-piperidinyl]cyclohexyl}-3-[4-(trifluormethoxy)phenyl]acrylamid [German] [ACD/IUPAC Name]
(2E)-N-{4-[4-(2-Methoxyphenyl)-1-piperidinyl]cyclohexyl}-3-[4-(trifluoromethoxy)phenyl]acrylamide [ACD/IUPAC Name]
(2E)-N-{4-[4-(2-Méthoxyphényl)-1-pipéridinyl]cyclohexyl}-3-[4-(trifluorométhoxy)phényl]acrylamide [French] [ACD/IUPAC Name]
(2E)-N-{4-[4-(2-Methoxyphenyl)piperidin-1-yl]cyclohexyl}-3-[4-(trifluoromethoxy)phenyl]acrylamide
2-Propenamide, N-[4-[4-(2-methoxyphenyl)-1-piperidinyl]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]-, (2E)- [ACD/Index Name]
TCMDC-133494
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.348553163 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 17.72
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 89.20
ACD/KOC (pH 7.4): 257.43
Polar Surface Area: 51 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

Click to predict properties on the Chemicalize site


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