ChemSpider 2D Image | ({(1S)-4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetic acid | C28H27NO3S

({(1S)-4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetic acid

  • Molecular FormulaC28H27NO3S
  • Average mass457.584 Da
  • Monoisotopic mass457.171173 Da
  • ChemSpider ID57643028

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({(1S)-1-[4-(2-Chinolinylmethoxy)phenyl]-4-phenylbutyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
({(1S)-4-Phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl}sulfanyl)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[(1S)-4-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]butyl]thio]- [ACD/Index Name]
Acide ({(1S)-4-phényl-1-[4-(2-quinoléinylméthoxy)phényl]butyl}sulfanyl)acétique [French] [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: 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: 1.652
Molar Refractivity: 135.5±0.3 cm3
#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: 85 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 370.4±3.0 cm3

Click to predict properties on the Chemicalize site


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