ChemSpider 2D Image | {1-[(4-Fluorophenyl)sulfonyl]-3-piperidinyl}{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone | C23H25F4N3O3S

{1-[(4-Fluorophenyl)sulfonyl]-3-piperidinyl}{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC23H25F4N3O3S
  • Average mass499.522 Da
  • Monoisotopic mass499.155273 Da
  • ChemSpider ID33146848

More details:

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

{1-[(4-Fluorophenyl)sulfonyl]-3-piperidinyl}{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{1-[(4-Fluorophényl)sulfonyl]-3-pipéridinyl}{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
{1-[(4-Fluorphenyl)sulfonyl]-3-piperidinyl}{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [1-[(4-fluorophenyl)sulfonyl]-3-piperidinyl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
1-[1-(4-FLUOROBENZENESULFONYL)PIPERIDINE-3-CARBONYL]-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.5±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.18
ACD/KOC (pH 5.5): 2971.57
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.29
ACD/KOC (pH 7.4): 2972.23
Polar Surface Area: 69 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 362.6±3.0 cm3

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