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Search term: BSYLKYWBLKSLBJ-RUZDIDTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5R)-5-(3-{3-[4-(4-Chlorophenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C27H26ClNO5S

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

  • Molecular FormulaC27H26ClNO5S
  • Average mass512.017 Da
  • Monoisotopic mass511.122009 Da
  • ChemSpider ID26334424

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-(3-{3-[4-(4-Chlorophenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5R)-5-(3-{3-[4-(4-Chlorophénoxy)-2-propylphénoxy]propoxy}phényl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
(5R)-5-(3-{3-[4-(4-Chlorphenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-[4-(4-chlorophenoxy)-2-propylphenoxy]propoxy]phenyl]-, (5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.1±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 18576.88
ACD/KOC (pH 5.5): 36456.44
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1128.00
ACD/KOC (pH 7.4): 2213.66
Polar Surface Area: 99 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 398.7±3.0 cm3

Click to predict properties on the Chemicalize site


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