ChemSpider 2D Image | TCMDC-139709 | C28H41N3O

TCMDC-139709

  • Molecular FormulaC28H41N3O
  • Average mass435.645 Da
  • Monoisotopic mass435.324951 Da
  • ChemSpider ID24579474

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(4-{[4-(1H-Indol-3-yl)-1-piperidinyl]methyl}cyclohexyl)-2-octenamid [German] [ACD/IUPAC Name]
(2E)-N-(4-{[4-(1H-Indol-3-yl)-1-piperidinyl]methyl}cyclohexyl)-2-octenamide [ACD/IUPAC Name]
(2E)-N-(4-{[4-(1H-Indol-3-yl)-1-pipéridinyl]méthyl}cyclohexyl)-2-octénamide [French] [ACD/IUPAC Name]
(2E)-N-(4-{[4-(1H-Indol-3-yl)piperidin-1-yl]methyl}cyclohexyl)oct-2-enamide
2-Octenamide, N-[4-[[4-(1H-indol-3-yl)-1-piperidinyl]methyl]cyclohexyl]-, (2E)- [ACD/Index Name]
TCMDC-139709
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.981986559 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 14.20
ACD/KOC (pH 5.5): 31.13
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 82.25
ACD/KOC (pH 7.4): 180.32
Polar Surface Area: 48 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 397.6±5.0 cm3

Click to predict properties on the Chemicalize site


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