ChemSpider 2D Image | 1-(4-{2-(4-Chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-2-phenyl-1-butanone | C30H35ClN2O3

1-(4-{2-(4-Chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-2-phenyl-1-butanone

  • Molecular FormulaC30H35ClN2O3
  • Average mass507.064 Da
  • Monoisotopic mass506.233612 Da
  • ChemSpider ID22736678

More details:

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

1-(4-{2-(4-Chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-2-phenyl-1-butanone [ACD/IUPAC Name]
1-(4-{2-(4-Chlorophényl)-2-[(3-méthoxybenzyl)oxy]éthyl}-1-pipérazinyl)-2-phényl-1-butanone [French] [ACD/IUPAC Name]
1-(4-{2-(4-Chlorphenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-2-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-[4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-1-piperazinyl]-2-phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.8±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 14396.31
ACD/KOC (pH 5.5): 27549.46
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26775.24
ACD/KOC (pH 7.4): 51238.36
Polar Surface Area: 42 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

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