ChemSpider 2D Image | 1-{2-[(3-Chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl}-4-[(2-fluoro-5-methylphenyl)sulfonyl]piperazine | C27H30ClFN2O4S

1-{2-[(3-Chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl}-4-[(2-fluoro-5-methylphenyl)sulfonyl]piperazine

  • Molecular FormulaC27H30ClFN2O4S
  • Average mass533.055 Da
  • Monoisotopic mass532.159912 Da
  • ChemSpider ID22772236

More details:

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

1-{2-[(3-Chlorbenzyl)oxy]-2-(3-methoxyphenyl)ethyl}-4-[(2-fluor-5-methylphenyl)sulfonyl]piperazin [German] [ACD/IUPAC Name]
1-{2-[(3-Chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl}-4-[(2-fluoro-5-methylphenyl)sulfonyl]piperazine [ACD/IUPAC Name]
1-{2-[(3-Chlorobenzyl)oxy]-2-(3-méthoxyphényl)éthyl}-4-[(2-fluoro-5-méthylphényl)sulfonyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-[(2-fluoro-5-methylphenyl)sulfonyl]- [ACD/Index 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: 633.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 4577.37
ACD/KOC (pH 5.5): 11172.31
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11285.88
ACD/KOC (pH 7.4): 27546.25
Polar Surface Area: 67 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 414.9±3.0 cm3

Click to predict properties on the Chemicalize site


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