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

2-{4-[(Z)-{[({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetamide

  • Molecular FormulaC20H21F3N8O3S
  • Average mass510.493 Da
  • Monoisotopic mass510.140930 Da
  • ChemSpider ID100604969

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(Z)-{[({4-Ethyl-5-[1-methyl-3-(trifluormethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetamid [German] [ACD/IUPAC Name]
2-{4-[(Z)-{[({4-Ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazono}methyl]phenoxy}acetamide [ACD/IUPAC Name]
2-{4-[(Z)-{[2-({4-Éthyl-5-[1-méthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]hydrazono}méthyl]phénoxy}acétamide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-(2-amino-2-oxoethoxy)phenyl]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: 1.646
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.85
ACD/KOC (pH 5.5): 251.52
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.85
ACD/KOC (pH 7.4): 251.50
Polar Surface Area: 168 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 338.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement