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Search term: AGIZWZHGBUGOHX-RUZDIDTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5R)-5-{3-[3-(4-Cyclohexyl-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidine-2,4-dione | C27H33NO4S

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

  • Molecular FormulaC27H33NO4S
  • Average mass467.620 Da
  • Monoisotopic mass467.213043 Da
  • ChemSpider ID26398852

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 13699.57
ACD/KOC (pH 5.5): 29315.34
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 831.79
ACD/KOC (pH 7.4): 1779.92
Polar Surface Area: 90 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

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