ChemSpider 2D Image | (2R)-3-Benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one | C17H16BrNO3S

(2R)-3-Benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one

  • Molecular FormulaC17H16BrNO3S
  • Average mass394.283 Da
  • Monoisotopic mass393.003418 Da
  • ChemSpider ID25059108

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-Benzyl-2-(2-brom-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(2R)-3-Benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(2R)-3-Benzyl-2-(2-bromo-4-hydroxy-5-méthoxyphényl)-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
4-Thiazolidinone, 2-(2-bromo-4-hydroxy-5-methoxyphenyl)-3-(phenylmethyl)-, (2R)- [ACD/Index Name]
X55

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 304.3±30.1 °C
Index of Refraction: 1.666
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.81
ACD/KOC (pH 5.5): 2986.60
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 475.05
ACD/KOC (pH 7.4): 2821.70
Polar Surface Area: 75 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 256.9±3.0 cm3

Click to predict properties on the Chemicalize site


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