ChemSpider 2D Image | TCMDC-139714 | C29H34ClN3O

TCMDC-139714

  • Molecular FormulaC29H34ClN3O
  • Average mass476.053 Da
  • Monoisotopic mass475.239044 Da
  • ChemSpider ID24579464

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2-Chlorophenyl)-N-(4-{[4-(1H-indol-3-yl)-1-piperidinyl]methyl}cyclohexyl)acrylamide [ACD/IUPAC Name]
(2E)-3-(2-Chlorophényl)-N-(4-{[4-(1H-indol-3-yl)-1-pipéridinyl]méthyl}cyclohexyl)acrylamide [French] [ACD/IUPAC Name]
(2E)-3-(2-Chlorophenyl)-N-(4-{[4-(1H-indol-3-yl)piperidin-1-yl]methyl}cyclohexyl)acrylamide
(2E)-3-(2-Chlorphenyl)-N-(4-{[4-(1H-indol-3-yl)-1-piperidinyl]methyl}cyclohexyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)-1-piperidinyl]methyl]cyclohexyl]-, (2E)- [ACD/Index Name]
TCMDC-139714
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.848511979 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: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 17.73
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 37.47
ACD/KOC (pH 7.4): 102.71
Polar Surface Area: 48 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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