ChemSpider 2D Image | N'-{(Z)-[2-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]methylene}-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide | C30H33FN8O2S

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

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID82698171

  • 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-fluoro-4-(4-methyl-1-piperazinyl)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[2-Fluor-4-(4-methyl-1-piperazinyl)phenyl]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-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]methylene}-2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide [ACD/IUPAC Name]
N'-{(Z)-[2-Fluoro-4-(4-méthyl-1-pipérazinyl)phényl]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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 21.26
ACD/KOC (pH 5.5): 98.11
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 703.37
ACD/KOC (pH 7.4): 3245.94
Polar Surface Area: 125 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 447.4±7.0 cm3

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