ChemSpider 2D Image | N'-[(Z)-(5-Nitro-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)methylene]-2-(4-pyridinyl)-4-quinolinecarbohydrazide | C28H17F3N6O3S

N'-[(Z)-(5-Nitro-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)methylene]-2-(4-pyridinyl)-4-quinolinecarbohydrazide

  • Molecular FormulaC28H17F3N6O3S
  • Average mass574.533 Da
  • Monoisotopic mass574.103516 Da
  • ChemSpider ID103044143
  • Double-bond stereo - Double-bond stereo


More details:






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

4-Quinolinecarboxylic acid, 2-(4-pyridinyl)-, 2-[(1Z)-[5-nitro-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]phenyl]methylene]hydrazide [ACD/Index Name]
N'-[(Z)-(5-Nitro-2-{[5-(trifluormethyl)-2-pyridinyl]sulfanyl}phenyl)methylen]-2-(4-pyridinyl)-4-chinolincarbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-(5-Nitro-2-{[5-(trifluorométhyl)-2-pyridinyl]sulfanyl}phényl)méthylène]-2-(4-pyridinyl)-4-quinoléinecarbohydrazide [French] [ACD/IUPAC Name]
N'-[(Z)-(5-Nitro-2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)methylene]-2-(4-pyridinyl)-4-quinolinecarbohydrazide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4135.96
ACD/KOC (pH 5.5): 13498.30
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4120.18
ACD/KOC (pH 7.4): 13446.78
Polar Surface Area: 151 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 394.7±7.0 cm3

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