ChemSpider 2D Image | Methyl 4-{[1-(4-chlorophenyl)-2-{4-[(6-chloro-3-pyridinyl)carbonyl]-1-piperazinyl}ethoxy]methyl}benzoate | C27H27Cl2N3O4

Methyl 4-{[1-(4-chlorophenyl)-2-{4-[(6-chloro-3-pyridinyl)carbonyl]-1-piperazinyl}ethoxy]methyl}benzoate

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID22736225

More details:

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

4-{[1-(4-Chlorophényl)-2-{4-[(6-chloro-3-pyridinyl)carbonyl]-1-pipérazinyl}éthoxy]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1-(4-chlorophenyl)-2-[4-[(6-chloro-3-pyridinyl)carbonyl]-1-piperazinyl]ethoxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[1-(4-chlorophenyl)-2-{4-[(6-chloro-3-pyridinyl)carbonyl]-1-piperazinyl}ethoxy]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[1-(4-chlorphenyl)-2-{4-[(6-chlor-3-pyridinyl)carbonyl]-1-piperazinyl}ethoxy]methyl}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1319.05
ACD/KOC (pH 5.5): 4340.46
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3918.77
ACD/KOC (pH 7.4): 12895.09
Polar Surface Area: 72 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

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