ChemSpider 2D Image | 5-[(2-Chloro-6-fluorobenzyl)oxy]-1-[2-(2-hydroxyethoxy)ethyl]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone | C21H27ClFNO4S

5-[(2-Chloro-6-fluorobenzyl)oxy]-1-[2-(2-hydroxyethoxy)ethyl]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone

  • Molecular FormulaC21H27ClFNO4S
  • Average mass443.960 Da
  • Monoisotopic mass443.133331 Da
  • ChemSpider ID123321624

More details:

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

4(1H)-Pyridinone, 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[[(1,1-dimethylethyl)thio]methyl]-1-[2-(2-hydroxyethoxy)ethyl]- [ACD/Index Name]
5-[(2-Chlor-6-fluorbenzyl)oxy]-1-[2-(2-hydroxyethoxy)ethyl]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(2-Chloro-6-fluorobenzyl)oxy]-1-[2-(2-hydroxyethoxy)ethyl]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone [ACD/IUPAC Name]
5-[(2-Chloro-6-fluorobenzyl)oxy]-1-[2-(2-hydroxyéthoxy)éthyl]-2-{[(2-méthyl-2-propanyl)sulfanyl]méthyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.34
ACD/KOC (pH 5.5): 1523.85
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.35
ACD/KOC (pH 7.4): 1523.93
Polar Surface Area: 84 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 345.5±5.0 cm3

Click to predict properties on the Chemicalize site


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