ChemSpider 2D Image | {4-[(3-Fluorophenyl)sulfonyl]-1-piperazinyl}[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanone | C27H25FN4O4S

{4-[(3-Fluorophenyl)sulfonyl]-1-piperazinyl}[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanone

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID21944349

More details:

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

{4-[(3-Fluorophenyl)sulfonyl]-1-piperazinyl}[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanone [ACD/IUPAC Name]
{4-[(3-Fluorophényl)sulfonyl]-1-pipérazinyl}[3-(4-méthoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthanone [French] [ACD/IUPAC Name]
{4-[(3-Fluorphenyl)sulfonyl]-1-piperazinyl}[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[(3-fluorophenyl)sulfonyl]-1-piperazinyl][3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]- [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: 728.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.2±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1355.36
ACD/KOC (pH 5.5): 6074.69
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1355.36
ACD/KOC (pH 7.4): 6074.69
Polar Surface Area: 93 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 387.2±7.0 cm3

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