ChemSpider 2D Image | N-{3-[4-(2-Ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl}-2-{[3-(trifluoromethyl)phenyl]sulfanyl}nicotinamide | C28H31F3N4O3S

N-{3-[4-(2-Ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl}-2-{[3-(trifluoromethyl)phenyl]sulfanyl}nicotinamide

  • Molecular FormulaC28H31F3N4O3S
  • Average mass560.631 Da
  • Monoisotopic mass560.206909 Da
  • ChemSpider ID24719307

More details:

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

3-Pyridinecarboxamide, N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]-2-[[3-(trifluoromethyl)phenyl]thio]- [ACD/Index Name]
N-{3-[4-(2-Ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl}-2-{[3-(trifluormethyl)phenyl]sulfanyl}nicotinamid [German] [ACD/IUPAC Name]
N-{3-[4-(2-Ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl}-2-{[3-(trifluoromethyl)phenyl]sulfanyl}nicotinamide [ACD/IUPAC Name]
N-{3-[4-(2-Éthoxyphényl)-1-pipérazinyl]-2-hydroxypropyl}-2-{[3-(trifluorométhyl)phényl]sulfanyl}nicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 94.07
ACD/KOC (pH 5.5): 292.05
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 2826.92
ACD/KOC (pH 7.4): 8776.35
Polar Surface Area: 103 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 410.9±5.0 cm3

Click to predict properties on the Chemicalize site


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