ChemSpider 2D Image | 5-[(3-Fluorobenzyl)oxy]-1-(3-isopropoxypropyl)-2-[(isopropylsulfanyl)methyl]-4(1H)-pyridinone | C22H30FNO3S

5-[(3-Fluorobenzyl)oxy]-1-(3-isopropoxypropyl)-2-[(isopropylsulfanyl)methyl]-4(1H)-pyridinone

  • Molecular FormulaC22H30FNO3S
  • Average mass407.542 Da
  • Monoisotopic mass407.193054 Da
  • ChemSpider ID123287160

More details:

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

4(1H)-Pyridinone, 5-[(3-fluorophenyl)methoxy]-1-[3-(1-methylethoxy)propyl]-2-[[(1-methylethyl)thio]methyl]- [ACD/Index Name]
5-[(3-Fluorbenzyl)oxy]-1-(3-isopropoxypropyl)-2-[(isopropylsulfanyl)methyl]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(3-Fluorobenzyl)oxy]-1-(3-isopropoxypropyl)-2-[(isopropylsulfanyl)methyl]-4(1H)-pyridinone [ACD/IUPAC Name]
5-[(3-Fluorobenzyl)oxy]-1-(3-isopropoxypropyl)-2-[(isopropylsulfanyl)méthyl]-4(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 113.7±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): 4.05
ACD/BCF (pH 5.5): 698.51
ACD/KOC (pH 5.5): 3779.64
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 698.57
ACD/KOC (pH 7.4): 3779.95
Polar Surface Area: 64 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 354.4±5.0 cm3

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