ChemSpider 2D Image | (3-{[4-(4-Fluorophenyl)-1-piperazinyl]sulfonyl}phenyl)[4-(2-hydroxyphenyl)-1-piperazinyl]methanone | C27H29FN4O4S

(3-{[4-(4-Fluorophenyl)-1-piperazinyl]sulfonyl}phenyl)[4-(2-hydroxyphenyl)-1-piperazinyl]methanone

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID22382683

More details:

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

(3-{[4-(4-Fluorophenyl)-1-piperazinyl]sulfonyl}phenyl)[4-(2-hydroxyphenyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(3-{[4-(4-Fluorophényl)-1-pipérazinyl]sulfonyl}phényl)[4-(2-hydroxyphényl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
(3-{[4-(4-Fluorphenyl)-1-piperazinyl]sulfonyl}phenyl)[4-(2-hydroxyphenyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl][4-(2-hydroxyphenyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 405.8±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 48.72
ACD/KOC (pH 5.5): 526.20
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.12
ACD/KOC (pH 7.4): 660.17
Polar Surface Area: 93 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 383.0±3.0 cm3

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