ChemSpider 2D Image | 1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{2-(3-methoxyphenyl)-2-[(4-methylbenzyl)oxy]ethyl}piperazine | C27H30ClFN2O4S

1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{2-(3-methoxyphenyl)-2-[(4-methylbenzyl)oxy]ethyl}piperazine

  • Molecular FormulaC27H30ClFN2O4S
  • Average mass533.055 Da
  • Monoisotopic mass532.159912 Da
  • ChemSpider ID22772230

More details:

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

1-[(3-Chlor-2-fluorphenyl)sulfonyl]-4-{2-(3-methoxyphenyl)-2-[(4-methylbenzyl)oxy]ethyl}piperazin [German] [ACD/IUPAC Name]
1-[(3-Chloro-2-fluorophenyl)sulfonyl]-4-{2-(3-methoxyphenyl)-2-[(4-methylbenzyl)oxy]ethyl}piperazine [ACD/IUPAC Name]
1-[(3-Chloro-2-fluorophényl)sulfonyl]-4-{2-(3-méthoxyphényl)-2-[(4-méthylbenzyl)oxy]éthyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3-chloro-2-fluorophenyl)sulfonyl]-4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]- [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: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±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: 6.11
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 7310.01
ACD/KOC (pH 5.5): 15532.12
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18371.05
ACD/KOC (pH 7.4): 39034.30
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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