ChemSpider 2D Image | N'-[(Z)-(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide | C26H22F2N6O4S

N'-[(Z)-(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

  • Molecular FormulaC26H22F2N6O4S
  • Average mass552.552 Da
  • Monoisotopic mass552.139160 Da
  • ChemSpider ID82698294

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(2,2-difluoro-1,3-benzodioxol-5-yl)methylene]hydrazide [ACD/Index Name]
N'-[(Z)-(2,2-Difluor-1,3-benzodioxol-5-yl)methylen]-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-(2,2-Difluoro-1,3-benzodioxol-5-yl)methylene]-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide [ACD/IUPAC Name]
N'-[(Z)-(2,2-Difluoro-1,3-benzodioxol-5-yl)méthylène]-2-[(5-{[(4-méthoxyphényl)amino]méthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétohydrazide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3400.80
ACD/KOC (pH 5.5): 11709.30
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3426.84
ACD/KOC (pH 7.4): 11798.94
Polar Surface Area: 137 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

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