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Search term: JLAXJZRUAXLLMT-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-(3-{3-[4-(1,2-Benzoxazol-3-yl)-2-propylphenoxy]propoxy}phenyl)-1,3-thiazolidine-2,4-dione | C28H26N2O5S

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

  • Molecular FormulaC28H26N2O5S
  • Average mass502.581 Da
  • Monoisotopic mass502.156250 Da
  • ChemSpider ID28517494

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6477.74
ACD/KOC (pH 5.5): 17147.81
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 392.97
ACD/KOC (pH 7.4): 1040.27
Polar Surface Area: 116 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 391.6±3.0 cm3

Click to predict properties on the Chemicalize site


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