ChemSpider 2D Image | 2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3,5-difluoro-2,4-dihydroxyphenyl)methylene]acetohydrazide | C18H14ClF2N5O3S

2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3,5-difluoro-2,4-dihydroxyphenyl)methylene]acetohydrazide

  • Molecular FormulaC18H14ClF2N5O3S
  • Average mass453.850 Da
  • Monoisotopic mass453.047394 Da
  • ChemSpider ID108568062

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[5-(3-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3,5-difluoro-2,4-dihydroxyphenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-{[5-(3-Chlorophényl)-4-méthyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3,5-difluoro-2,4-dihydroxyphényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-{[5-(3-Chlorphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(3,5-difluor-2,4-dihydroxyphenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(3,5-difluoro-2,4-dihydroxyphenyl)methylene]hydrazide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 658.90
ACD/KOC (pH 5.5): 3439.42
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 34.33
ACD/KOC (pH 7.4): 179.21
Polar Surface Area: 138 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

Click to predict properties on the Chemicalize site


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