ChemSpider 2D Image | TCMDC-135431 | C32H40N4O3

TCMDC-135431

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID24575476

More details:

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

Benzamide, N-[1-[2-[4-(2,4-dimethoxyphenyl)-1-piperidinyl]ethyl]-4-piperidinyl]-3-(4-pyridinyl)- [ACD/Index Name]
N-(1-{2-[4-(2,4-Dimethoxyphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-3-(4-pyridinyl)benzamid [German] [ACD/IUPAC Name]
N-(1-{2-[4-(2,4-Dimethoxyphenyl)-1-piperidinyl]ethyl}-4-piperidinyl)-3-(4-pyridinyl)benzamide [ACD/IUPAC Name]
N-(1-{2-[4-(2,4-Diméthoxyphényl)-1-pipéridinyl]éthyl}-4-pipéridinyl)-3-(4-pyridinyl)benzamide [French] [ACD/IUPAC Name]
N-(1-{2-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]ethyl}piperidin-4-yl)-3-(pyridin-4-yl)benzamide
TCMDC-135431
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.796946022 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: 685.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.4±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 13.69
Polar Surface Area: 67 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 437.0±5.0 cm3

Click to predict properties on the Chemicalize site


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