ChemSpider 2D Image | 5-(3-Chlorophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-thienyl)methylene]-2,3-pyrrolidinedione | C24H17ClN2O3S2

5-(3-Chlorophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-thienyl)methylene]-2,3-pyrrolidinedione

  • Molecular FormulaC24H17ClN2O3S2
  • Average mass480.986 Da
  • Monoisotopic mass480.036896 Da
  • ChemSpider ID35381280

More details:

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

2,3-Pyrrolidinedione, 5-(3-chlorophenyl)-1-(6-ethyl-2-benzothiazolyl)-4-(hydroxy-2-thienylmethylene)- [ACD/Index Name]
5-(3-Chlorophenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-thienyl)methylene]-2,3-pyrrolidinedione [ACD/IUPAC Name]
5-(3-Chlorophényl)-1-(6-éthyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-thiényl)méthylène]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
5-(3-Chlorphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-thienyl)methylen]-2,3-pyrrolidindion [German] [ACD/IUPAC 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: 669.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 1.738
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3922.77
ACD/KOC (pH 5.5): 12963.03
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2247.36
ACD/KOC (pH 7.4): 7426.53
Polar Surface Area: 127 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement