ChemSpider 2D Image | Ethyl 5-(4-{2-(4-chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-5-oxopentanoate | C27H35ClN2O5

Ethyl 5-(4-{2-(4-chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-5-oxopentanoate

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID22736181

More details:

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

1-Piperazinepentanoic acid, 4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-δ-oxo-, ethyl ester [ACD/Index Name]
5-(4-{2-(4-Chlorophényl)-2-[(3-méthoxybenzyl)oxy]éthyl}-1-pipérazinyl)-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(4-{2-(4-chlorophenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-(4-{2-(4-chlorphenyl)-2-[(3-methoxybenzyl)oxy]ethyl}-1-piperazinyl)-5-oxopentanoat [German] [ACD/IUPAC 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: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1467.62
ACD/KOC (pH 5.5): 5212.31
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3031.52
ACD/KOC (pH 7.4): 10766.58
Polar Surface Area: 68 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 424.4±3.0 cm3

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