ChemSpider 2D Image | ({4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetate | C28H26NO3S

({4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetate

  • Molecular FormulaC28H26NO3S
  • Average mass456.577 Da
  • Monoisotopic mass456.163879 Da
  • ChemSpider ID21228001
  • Charge - Charge


More details:






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

({1-[4-(2-Chinolinylmethoxy)phenyl]-4-phenylbutyl}sulfanyl)acetat [German] [ACD/IUPAC Name]
({4-Phényl-1-[4-(2-quinoléinylméthoxy)phényl]butyl}sulfanyl)acétate [French] [ACD/IUPAC Name]
({4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetate [ACD/IUPAC Name]
Acetic acid, 2-[[4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]-, ion(1-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 511.89
ACD/KOC (pH 5.5): 948.69
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 12.00
ACD/KOC (pH 7.4): 22.24
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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