ChemSpider 2D Image | 2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylene]acetohydrazide | C31H31F3N6O2S

2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylene]acetohydrazide

  • Molecular FormulaC31H31F3N6O2S
  • Average mass608.677 Da
  • Monoisotopic mass608.218140 Da
  • ChemSpider ID100079466

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-(2-{[3-(trifluormethyl)benzyl]oxy}phenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-[(4-Allyl-5-{1-[(4-méthylphényl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(Z)-(2-{[3-(trifluorométhyl)benzyl]oxy}phényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[1-[(4-methylphenyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46247.24
ACD/KOC (pH 5.5): 75711.66
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46871.97
ACD/KOC (pH 7.4): 76734.42
Polar Surface Area: 119 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 480.6±7.0 cm3

Click to predict properties on the Chemicalize site


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