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

5-[(2-Chloro-6-fluorobenzyl)oxy]-2-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(6-hydroxyhexyl)-4(1H)-pyridinone

  • Molecular FormulaC21H27ClFNO4S
  • Average mass443.960 Da
  • Monoisotopic mass443.133331 Da
  • ChemSpider ID123325460

More details:

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

4(1H)-Pyridinone, 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[[(2-hydroxyethyl)thio]methyl]-1-(6-hydroxyhexyl)- [ACD/Index Name]
5-[(2-Chlor-6-fluorbenzyl)oxy]-2-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(6-hydroxyhexyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(2-Chloro-6-fluorobenzyl)oxy]-2-{[(2-hydroxyethyl)sulfanyl]methyl}-1-(6-hydroxyhexyl)-4(1H)-pyridinone [ACD/IUPAC Name]
5-[(2-Chloro-6-fluorobenzyl)oxy]-2-{[(2-hydroxyéthyl)sulfanyl]méthyl}-1-(6-hydroxyhexyl)-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: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.30
ACD/KOC (pH 5.5): 901.46
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.30
ACD/KOC (pH 7.4): 901.52
Polar Surface Area: 95 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 336.4±5.0 cm3

Click to predict properties on the Chemicalize site


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