ChemSpider 2D Image | 2-{[(4-Chlorophenyl)sulfanyl]methyl}-5-[(3,4-dichlorobenzyl)oxy]-1-(3-methoxypropyl)-4(1H)-pyridinone | C23H22Cl3NO3S

2-{[(4-Chlorophenyl)sulfanyl]methyl}-5-[(3,4-dichlorobenzyl)oxy]-1-(3-methoxypropyl)-4(1H)-pyridinone

  • Molecular FormulaC23H22Cl3NO3S
  • Average mass498.850 Da
  • Monoisotopic mass497.038605 Da
  • ChemSpider ID123440958

More details:

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

2-{[(4-Chlorophenyl)sulfanyl]methyl}-5-[(3,4-dichlorobenzyl)oxy]-1-(3-methoxypropyl)-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[(4-Chlorophényl)sulfanyl]méthyl}-5-[(3,4-dichlorobenzyl)oxy]-1-(3-méthoxypropyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
2-{[(4-Chlorphenyl)sulfanyl]methyl}-5-[(3,4-dichlorbenzyl)oxy]-1-(3-methoxypropyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(4-chlorophenyl)thio]methyl]-5-[(3,4-dichlorophenyl)methoxy]-1-(3-methoxypropyl)- [ACD/Index 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: 621.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19147.63
ACD/KOC (pH 5.5): 40431.25
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19148.74
ACD/KOC (pH 7.4): 40433.60
Polar Surface Area: 64 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 359.1±5.0 cm3

Click to predict properties on the Chemicalize site


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