ChemSpider 2D Image | 1-(2,5-Dimethyl-3-thienyl)-4-{4-[(2-fluorophenyl)sulfonyl]-1-piperazinyl}-1,4-butanedione | C20H23FN2O4S2

1-(2,5-Dimethyl-3-thienyl)-4-{4-[(2-fluorophenyl)sulfonyl]-1-piperazinyl}-1,4-butanedione

  • Molecular FormulaC20H23FN2O4S2
  • Average mass438.536 Da
  • Monoisotopic mass438.108337 Da
  • ChemSpider ID22766710

More details:

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

1-(2,5-Dimethyl-3-thienyl)-4-{4-[(2-fluorophenyl)sulfonyl]-1-piperazinyl}-1,4-butanedione [ACD/IUPAC Name]
1-(2,5-Diméthyl-3-thiényl)-4-{4-[(2-fluorophényl)sulfonyl]-1-pipérazinyl}-1,4-butanedione [French] [ACD/IUPAC Name]
1-(2,5-Dimethyl-3-thienyl)-4-{4-[(2-fluorphenyl)sulfonyl]-1-piperazinyl}-1,4-butandion [German] [ACD/IUPAC Name]
1,4-Butanedione, 1-(2,5-dimethyl-3-thienyl)-4-[4-[(2-fluorophenyl)sulfonyl]-1-piperazinyl]- [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: 638.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.64
ACD/KOC (pH 5.5): 1144.62
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.64
ACD/KOC (pH 7.4): 1144.62
Polar Surface Area: 111 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 325.8±3.0 cm3

Click to predict properties on the Chemicalize site


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