ChemSpider 2D Image | 1-(3-Ethoxypropyl)-5-[(4-fluorobenzyl)oxy]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone | C22H30FNO3S

1-(3-Ethoxypropyl)-5-[(4-fluorobenzyl)oxy]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone

  • Molecular FormulaC22H30FNO3S
  • Average mass407.542 Da
  • Monoisotopic mass407.193054 Da
  • ChemSpider ID123321331

More details:

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

1-(3-Ethoxypropyl)-5-[(4-fluorbenzyl)oxy]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
1-(3-Ethoxypropyl)-5-[(4-fluorobenzyl)oxy]-2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4(1H)-pyridinone [ACD/IUPAC Name]
1-(3-Éthoxypropyl)-5-[(4-fluorobenzyl)oxy]-2-{[(2-méthyl-2-propanyl)sulfanyl]méthyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(1,1-dimethylethyl)thio]methyl]-1-(3-ethoxypropyl)-5-[(4-fluorophenyl)methoxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 774.39
ACD/KOC (pH 5.5): 4069.17
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 774.46
ACD/KOC (pH 7.4): 4069.54
Polar Surface Area: 64 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 353.6±5.0 cm3

Click to predict properties on the Chemicalize site


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