ChemSpider 2D Image | Methyl 4-{[2-{4-[(2-methoxy-5-methylphenyl)sulfonyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate | C30H36N2O7S

Methyl 4-{[2-{4-[(2-methoxy-5-methylphenyl)sulfonyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate

  • Molecular FormulaC30H36N2O7S
  • Average mass568.681 Da
  • Monoisotopic mass568.224304 Da
  • ChemSpider ID22772479

More details:

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

4-{[2-{4-[(2-Méthoxy-5-méthylphényl)sulfonyl]-1-pipérazinyl}-1-(3-méthoxyphényl)éthoxy]méthyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-[(2-methoxy-5-methylphenyl)sulfonyl]-1-piperazinyl]-1-(3-methoxyphenyl)ethoxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-{4-[(2-methoxy-5-methylphenyl)sulfonyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-{4-[(2-methoxy-5-methylphenyl)sulfonyl]-1-piperazinyl}-1-(3-methoxyphenyl)ethoxy]methyl}benzoat [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: 694.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 373.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 746.68
ACD/KOC (pH 5.5): 2954.68
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2053.81
ACD/KOC (pH 7.4): 8127.14
Polar Surface Area: 103 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 460.6±3.0 cm3

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