ChemSpider 2D Image | 1-(3-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(4-fluorophenyl)ethanone | C23H26BrFN4O2

1-(3-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(4-fluorophenyl)ethanone

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID33574367

More details:

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

1-(3-{[4-(5-Brom-2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(4-fluorphenyl)ethanon [German] [ACD/IUPAC Name]
1-(3-{[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-2-(4-fluorophenyl)ethanone [ACD/IUPAC Name]
1-(3-{[4-(5-Bromo-2-pyridinyl)-1-pipérazinyl]carbonyl}-1-pipéridinyl)-2-(4-fluorophényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]carbonyl]-1-piperidinyl]-2-(4-fluorophenyl)- [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: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 25.85
ACD/KOC (pH 5.5): 229.87
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 116.25
ACD/KOC (pH 7.4): 1033.50
Polar Surface Area: 57 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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