ChemSpider 2D Image | (2E,5Z)-5-[3-Chloro-4-(2,3-dihydroxypropoxy)benzylidene]-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one | C23H25ClN2O4S

(2E,5Z)-5-[3-Chloro-4-(2,3-dihydroxypropoxy)benzylidene]-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one

  • Molecular FormulaC23H25ClN2O4S
  • Average mass460.974 Da
  • Monoisotopic mass460.122345 Da
  • ChemSpider ID115295389

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,5Z)-5-[3-Chlor-4-(2,3-dihydroxypropoxy)benzyliden]-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2E,5Z)-5-[3-Chloro-4-(2,3-dihydroxypropoxy)benzylidene]-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2E,5Z)-5-[3-Chloro-4-(2,3-dihydroxypropoxy)benzylidène]-3-(2-méthylphényl)-2-(propylimino)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 5-[[3-chloro-4-(2,3-dihydroxypropoxy)phenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2E,5Z)- [ACD/Index Name]
854107-55-4 [RN]
Ponesimod [INN] [USAN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 459.99
ACD/KOC (pH 5.5): 2802.84
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 459.99
ACD/KOC (pH 7.4): 2802.86
Polar Surface Area: 108 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 352.9±7.0 cm3

Click to predict properties on the Chemicalize site


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