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Search term: BZLTUCWBZRKZHF-DEOSSOPVSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (5S)-5-(3-{3-[4-(Cyclopentyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C26H31NO5S

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

  • Molecular FormulaC26H31NO5S
  • Average mass469.593 Da
  • Monoisotopic mass469.192291 Da
  • ChemSpider ID28517493
  • 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-(Cyclopentyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclopentyloxy)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-(3-{3-[4-(Cyclopentyloxy)-2-propylphénoxy]propoxy}phényl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-[4-(cyclopentyloxy)-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: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2527.63
ACD/KOC (pH 5.5): 8744.38
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 153.51
ACD/KOC (pH 7.4): 531.09
Polar Surface Area: 99 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 384.9±3.0 cm3

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