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Search term: QZUYYCLWMJYSQX-LJAQVGFWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-(3-{3-[4-(4-Isobutylphenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C31H35NO5S

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

  • Molecular FormulaC31H35NO5S
  • Average mass533.678 Da
  • Monoisotopic mass533.223572 Da
  • ChemSpider ID26333552

  • 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-(4-Isobutylphenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(4-Isobutylphenoxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(4-Isobutylphénoxy)-2-propylphénoxy]propoxy}phényl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-[4-[4-(2-methylpropyl)phenoxy]-2-propylphenoxy]propoxy]phenyl]-, (5S)- [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: 676.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.1±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 64403.28
ACD/KOC (pH 5.5): 88768.40
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 3910.89
ACD/KOC (pH 7.4): 5390.46
Polar Surface Area: 99 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 452.9±3.0 cm3

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