ChemSpider 2D Image | (5S)-5-{[7-(Benzyloxy)-3-quinolinyl]methyl}-4-hydroxy-1,3-thiazol-2(5H)-one | C20H16N2O3S

(5S)-5-{[7-(Benzyloxy)-3-quinolinyl]methyl}-4-hydroxy-1,3-thiazol-2(5H)-one

  • Molecular FormulaC20H16N2O3S
  • Average mass364.418 Da
  • Monoisotopic mass364.088165 Da
  • ChemSpider ID57642161

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-{[7-(Benzyloxy)-3-chinolinyl]methyl}-4-hydroxy-1,3-thiazol-2(5H)-on [German] [ACD/IUPAC Name]
(5S)-5-{[7-(Benzyloxy)-3-quinoléinyl]méthyl}-4-hydroxy-1,3-thiazol-2(5H)-one [French] [ACD/IUPAC Name]
(5S)-5-{[7-(Benzyloxy)-3-quinolinyl]methyl}-4-hydroxy-1,3-thiazol-2(5H)-one [ACD/IUPAC Name]
2(5H)-Thiazolone, 4-hydroxy-5-[[7-(phenylmethoxy)-3-quinolinyl]methyl]-, (5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±32.3 °C
Index of Refraction: 1.691
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.37
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 265.4±7.0 cm3

Click to predict properties on the Chemicalize site


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