ChemSpider 2D Image | 2-(4-Benzyl-1-piperazinyl)-1-[3,5-bis(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C28H28Cl2N4O

2-(4-Benzyl-1-piperazinyl)-1-[3,5-bis(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC28H28Cl2N4O
  • Average mass507.454 Da
  • Monoisotopic mass506.164032 Da
  • ChemSpider ID22697958

More details:






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

2-(4-Benzyl-1-piperazinyl)-1-[3,5-bis(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
2-(4-Benzyl-1-pipérazinyl)-1-[3,5-bis(2-chlorophényl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperazinyl)-1-[3,5-bis(2-chlorphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[3,5-bis(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 619.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.6±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 191.71
ACD/KOC (pH 5.5): 647.21
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 2981.72
ACD/KOC (pH 7.4): 10066.42
Polar Surface Area: 39 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 393.2±7.0 cm3

Click to predict properties on the Chemicalize site






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