ChemSpider 2D Image | 1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone | C23H28FN3O3S

1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone

  • Molecular FormulaC23H28FN3O3S
  • Average mass445.550 Da
  • Monoisotopic mass445.183533 Da
  • ChemSpider ID21639664

More details:

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

1-[4-(2-Fluorophenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone [ACD/IUPAC Name]
1-[4-(2-Fluorophényl)-1-pipérazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
1-[4-(2-Fluorphenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]- [ACD/Index Name]
1-(2-fluorophenyl)-4-{3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoyl}piperazine
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[4-(pyrrolidin-1-ylsulfonyl)phenyl]propan-1-one
1-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-propan-1-one
1-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-3-[4-(PYRROLIDINE-1-SULFONYL)PHENYL]PROPAN-1-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 638.8±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: 340.1±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.00
ACD/KOC (pH 5.5): 1690.48
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.08
ACD/KOC (pH 7.4): 1691.04
Polar Surface Area: 69 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 343.0±3.0 cm3

Click to predict properties on the Chemicalize site


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