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Search term: OZZBRLWUSGYQBE-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-{3-[3-(4-Benzoyl-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidine-2,4-dione | C28H27NO5S

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

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID28517844

  • 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-Benzoyl-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5S)-5-{3-[3-(4-Benzoyl-2-propylphenoxy)propoxy]phenyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5S)-5-{3-[3-(4-Benzoyl-2-propylphénoxy)propoxy]phényl}-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[3-[3-(4-benzoyl-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: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5309.81
ACD/KOC (pH 5.5): 14873.51
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 322.16
ACD/KOC (pH 7.4): 902.42
Polar Surface Area: 107 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

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