ChemSpider 2D Image | TCMDC-124638 | C23H31ClN2O3

TCMDC-124638

  • Molecular FormulaC23H31ClN2O3
  • Average mass418.957 Da
  • Monoisotopic mass418.202332 Da
  • ChemSpider ID22172141

More details:

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

2-Piperazineethanol, 4-[(5-chloro-2-hydroxyphenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]- [ACD/Index Name]
4-Chlor-2-{[3-(2-hydroxyethyl)-4-(4-methoxy-2,3-dimethylbenzyl)-1-piperazinyl]methyl}phenol [German] [ACD/IUPAC Name]
4-Chloro-2-{[3-(2-hydroxyethyl)-4-(4-methoxy-2,3-dimethylbenzyl)-1-piperazinyl]methyl}phenol [ACD/IUPAC Name]
4-Chloro-2-{[3-(2-hydroxyéthyl)-4-(4-méthoxy-2,3-diméthylbenzyl)-1-pipérazinyl]méthyl}phénol [French] [ACD/IUPAC Name]
4-Chloro-2-{[3-(2-hydroxyethyl)-4-(4-methoxy-2,3-dimethylbenzyl)piperazin-1-yl]methyl}phenol
TCMDC-124638
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.489935453 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: 562.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 9.02
ACD/KOC (pH 5.5): 63.92
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 194.75
ACD/KOC (pH 7.4): 1379.60
Polar Surface Area: 56 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 347.2±3.0 cm3

Click to predict properties on the Chemicalize site


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