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Search term: AVJJHRSFYPNIRZ-SANMLTNESA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (5S)-5-(3-{3-[4-(Cyclohexylidenemethyl)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C28H33NO4S

(5S)-5-(3-{3-[4-(Cyclohexylidenemethyl)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC28H33NO4S
  • Average mass479.631 Da
  • Monoisotopic mass479.213043 Da
  • ChemSpider ID26398455
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-5-(3-{3-[4-(Cyclohexylidenemethyl)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclohexylidèneméthyl)-2-propylphénoxy]propoxy}phényl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclohexylidenmethyl)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-[4-(cyclohexylidenemethyl)-2-propylphenoxy]propoxy]phenyl]-, (5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 20540.96
ACD/KOC (pH 5.5): 39173.88
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1246.86
ACD/KOC (pH 7.4): 2377.90
Polar Surface Area: 90 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

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