ChemSpider 2D Image | 2-({4-Ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(4-ethyl-3-nitrophenyl)methylene]acetohydrazide | C20H21F3N8O3S

2-({4-Ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(4-ethyl-3-nitrophenyl)methylene]acetohydrazide

  • Molecular FormulaC20H21F3N8O3S
  • Average mass510.493 Da
  • Monoisotopic mass510.140930 Da
  • ChemSpider ID100636484

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-Ethyl-5-[1-methyl-5-(trifluormethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(4-ethyl-3-nitrophenyl)methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-({4-Ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(4-ethyl-3-nitrophenyl)methylene]acetohydrazide [ACD/IUPAC Name]
2-({4-Éthyl-5-[1-méthyl-5-(trifluorométhyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(Z)-(4-éthyl-3-nitrophényl)méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(4-ethyl-3-nitrophenyl)methylene]hydrazide [ACD/Index 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: 1.645
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 907.41
ACD/KOC (pH 5.5): 4558.21
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 907.28
ACD/KOC (pH 7.4): 4557.56
Polar Surface Area: 161 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 342.3±7.0 cm3

Click to predict properties on the Chemicalize site


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