ChemSpider 2D Image | Ethyl (2Z)-3-{2-chloro-5-fluoro-6-[(4-methylphenyl)sulfanyl]-3-pyridinyl}-2-[(4-fluorophenyl)hydrazono]-3-oxopropanoate | C23H18ClF2N3O3S

Ethyl (2Z)-3-{2-chloro-5-fluoro-6-[(4-methylphenyl)sulfanyl]-3-pyridinyl}-2-[(4-fluorophenyl)hydrazono]-3-oxopropanoate

  • Molecular FormulaC23H18ClF2N3O3S
  • Average mass489.922 Da
  • Monoisotopic mass489.072540 Da
  • ChemSpider ID73960264

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{2-Chloro-5-fluoro-6-[(4-méthylphényl)sulfanyl]-3-pyridinyl}-2-[(4-fluorophényl)hydrazono]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 2-chloro-5-fluoro-α-[2-(4-fluorophenyl)hydrazinylidene]-6-[(4-methylphenyl)thio]-β-oxo-, ethyl ester, (αZ)- [ACD/Index Name]
Ethyl (2Z)-3-{2-chloro-5-fluoro-6-[(4-methylphenyl)sulfanyl]-3-pyridinyl}-2-[(4-fluorophenyl)hydrazono]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-(2Z)-3-{2-chlor-5-fluor-6-[(4-methylphenyl)sulfanyl]-3-pyridinyl}-2-[(4-fluorphenyl)hydrazono]-3-oxopropanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 604.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.4±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 1398.51
ACD/KOC (pH 5.5): 2964.25
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 205.21
ACD/KOC (pH 7.4): 434.97
Polar Surface Area: 106 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 360.0±7.0 cm3

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