ChemSpider 2D Image | 4-(2-{[4-({6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl}oxy)benzoyl]amino}phenoxy)butanoic acid | C34H43N3O6

4-(2-{[4-({6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl}oxy)benzoyl]amino}phenoxy)butanoic acid

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID23187484

More details:

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

4-(2-{[4-({6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl}oxy)benzoyl]amino}phenoxy)butanoic acid [ACD/IUPAC Name]
4-(2-{[4-({6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl}oxy)benzoyl]amino}phenoxy)butansäure [German] [ACD/IUPAC Name]
4-(2-{[4-({6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl}oxy)benzoyl]amino}phenoxy)butanoic acid
Acide 4-(2-{[4-({6-[4-(2-méthoxyphényl)-1-pipérazinyl]hexyl}oxy)benzoyl]amino}phénoxy)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[2-[[4-[[6-[4-(2-methoxyphenyl)-1-piperazinyl]hexyl]oxy]benzoyl]amino]phenoxy]- [ACD/Index Name]
4-[2-(4-{6-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-hexyloxy}-benzoylamino)-phenoxy]-butyric acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 26.93
ACD/KOC (pH 5.5): 73.43
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 21.11
ACD/KOC (pH 7.4): 57.58
Polar Surface Area: 101 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 495.8±3.0 cm3

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