ChemSpider 2D Image | (5E)-3-Benzyl-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-1,3-thiazolidine-2,4-dione | C20H18BrNO4S

(5E)-3-Benzyl-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC20H18BrNO4S
  • Average mass448.330 Da
  • Monoisotopic mass447.013977 Da
  • ChemSpider ID79677912

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-3-Benzyl-5-(3-brom-4-ethoxy-5-methoxybenzyliden)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5E)-3-Benzyl-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5E)-3-Benzyl-5-(3-bromo-4-éthoxy-5-méthoxybenzylidène)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylene]-3-(phenylmethyl)-, (5E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.7±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 831.31
ACD/KOC (pH 5.5): 4281.21
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 831.31
ACD/KOC (pH 7.4): 4281.21
Polar Surface Area: 81 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement