ChemSpider 2D Image | 2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl {[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate | C20H20ClFN4O4S

2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl {[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID21977442

More details:






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

{[4-Éthyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétate de 2-[(2-chloro-6-fluorobenzyl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(2-Chlor-6-fluorbenzyl)(methyl)amino]-2-oxoethyl-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
2-[(2-Chloro-6-fluorobenzyl)(methyl)amino]-2-oxoethyl {[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate [ACD/IUPAC Name]
Acetic acid, 2-[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[[(2-chloro-6-fluorophenyl)methyl]methylamino]-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 645.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.21
ACD/KOC (pH 5.5): 1812.64
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.22
ACD/KOC (pH 7.4): 1812.70
Polar Surface Area: 116 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 332.3±7.0 cm3

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