ChemSpider 2D Image | TCMDC-138576 | C32H38ClN3O2

TCMDC-138576

  • Molecular FormulaC32H38ClN3O2
  • Average mass532.116 Da
  • Monoisotopic mass531.265259 Da
  • ChemSpider ID24578450

More details:

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

4-(5-Chlor-2-pyridinyl)-N-{4-[4-(2-methoxy-5,6,7,8-tetrahydro-1-naphthalinyl)-1-piperidinyl]butyl}benzamid [German] [ACD/IUPAC Name]
4-(5-Chloro-2-pyridinyl)-N-{4-[4-(2-méthoxy-5,6,7,8-tétrahydro-1-naphtalényl)-1-pipéridinyl]butyl}benzamide [French] [ACD/IUPAC Name]
4-(5-Chloro-2-pyridinyl)-N-{4-[4-(2-methoxy-5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperidinyl]butyl}benzamide [ACD/IUPAC Name]
4-(5-chloropyridin-2-yl)-N-{4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl}benzamide
Benzamide, 4-(5-chloro-2-pyridinyl)-N-[4-[4-(5,6,7,8-tetrahydro-2-methoxy-1-naphthalenyl)-1-piperidinyl]butyl]- [ACD/Index Name]
TCMDC-138576
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.018690377 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: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 32.65
ACD/KOC (pH 5.5): 58.42
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 452.23
ACD/KOC (pH 7.4): 809.18
Polar Surface Area: 54 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 458.3±3.0 cm3

Click to predict properties on the Chemicalize site


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