ChemSpider 2D Image | 1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine | C20H20ClFN4O4S

1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID33414999

More details:






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

1-[(3-Chlor-2-fluorphenyl)sulfonyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin [German] [ACD/IUPAC Name]
1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine [ACD/IUPAC Name]
1-[(3-Chloro-2-fluorophényl)sulfonyl]-4-{[3-(4-méthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3-chloro-2-fluorophenyl)sulfonyl]-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 624.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.4±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 377.80
ACD/KOC (pH 5.5): 2431.41
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.47
ACD/KOC (pH 7.4): 2442.15
Polar Surface Area: 97 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 328.8±3.0 cm3

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