ChemSpider 2D Image | Methyl 5-[({4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate | C20H14ClFN4O3S2

Methyl 5-[({4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate

  • Molecular FormulaC20H14ClFN4O3S2
  • Average mass476.932 Da
  • Monoisotopic mass476.017975 Da
  • ChemSpider ID126522177

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[[4-[[(1E)-(2-chloro-6-fluorophenyl)methylene]amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester [ACD/Index Name]
5-[({4-[(E)-(2-Chloro-6-fluorobenzylidène)amino]-5-(2-thiényl)-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[({4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoate [ACD/IUPAC Name]
Methyl-5-[({4-[(E)-(2-chlor-6-fluorbenzyliden)amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-2-furoat [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: 674.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.7±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2530.00
ACD/KOC (pH 5.5): 9496.17
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2530.03
ACD/KOC (pH 7.4): 9496.28
Polar Surface Area: 136 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 315.8±7.0 cm3

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