ChemSpider 2D Image | {1-[(2-Fluorobenzyl)sulfonyl]-4-piperidinyl}(4-phenyl-1-piperazinyl)methanone | C23H28FN3O3S

{1-[(2-Fluorobenzyl)sulfonyl]-4-piperidinyl}(4-phenyl-1-piperazinyl)methanone

  • Molecular FormulaC23H28FN3O3S
  • Average mass445.550 Da
  • Monoisotopic mass445.183533 Da
  • ChemSpider ID21876422

More details:

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

{1-[(2-Fluorbenzyl)sulfonyl]-4-piperidinyl}(4-phenyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
{1-[(2-Fluorobenzyl)sulfonyl]-4-piperidinyl}(4-phenyl-1-piperazinyl)methanone [ACD/IUPAC Name]
{1-[(2-Fluorobenzyl)sulfonyl]-4-pipéridinyl}(4-phényl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[[(2-fluorophenyl)methyl]sulfonyl]-4-piperidinyl](4-phenyl-1-piperazinyl)- [ACD/Index Name]
[1-(2-Fluoro-phenylmethanesulfonyl)-piperidin-4-yl]-(4-phenyl-piperazin-1-yl)-methanone
{1-[(2-fluorobenzyl)sulfonyl]piperidin-4-yl}(4-phenylpiperazin-1-yl)methanone
1-({1-[(2-fluorobenzyl)sulfonyl]-4-piperidinyl}carbonyl)-4-phenylpiperazine
1-{1-[(2-FLUOROPHENYL)METHANESULFONYL]PIPERIDINE-4-CARBONYL}-4-PHENYLPIPERAZINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.14
ACD/KOC (pH 5.5): 1182.88
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.92
ACD/KOC (pH 7.4): 1189.58
Polar Surface Area: 69 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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