ChemSpider 2D Image | Methyl 4-amino-3-[(Z)-{[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoate | C20H21F3N8O3S

Methyl 4-amino-3-[(Z)-{[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoate

  • Molecular FormulaC20H21F3N8O3S
  • Average mass510.493 Da
  • Monoisotopic mass510.140930 Da
  • ChemSpider ID100605928

  • Double-bond stereo - Double-bond stereo

More details:

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

4-Amino-3-[(Z)-{[2-({4-éthyl-5-[1-méthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-amino-3-[(Z)-[2-[2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-amino-3-[(Z)-{[({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoate [ACD/IUPAC Name]
Methyl-4-amino-3-[(Z)-{[({4-ethyl-5-[1-methyl-3-(trifluormethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]benzoat [German] [ACD/IUPAC 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: 1.647
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 96.88
ACD/KOC (pH 5.5): 919.04
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.87
ACD/KOC (pH 7.4): 919.03
Polar Surface Area: 168 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 337.5±7.0 cm3

Click to predict properties on the Chemicalize site


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