ChemSpider 2D Image | 4-[Hydroxy(3-propoxyphenyl)methylene]-5-(4-iodophenyl)-1-(1,3-thiazol-2-yl)-2,3-pyrrolidinedione | C23H19IN2O4S

4-[Hydroxy(3-propoxyphenyl)methylene]-5-(4-iodophenyl)-1-(1,3-thiazol-2-yl)-2,3-pyrrolidinedione

  • Molecular FormulaC23H19IN2O4S
  • Average mass546.377 Da
  • Monoisotopic mass546.010986 Da
  • ChemSpider ID2623228

More details:

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

2,3-Pyrrolidinedione, 4-[hydroxy(3-propoxyphenyl)methylene]-5-(4-iodophenyl)-1-(2-thiazolyl)- [ACD/Index Name]
4-[Hydroxy(3-propoxyphenyl)methylen]-5-(4-iodphenyl)-1-(1,3-thiazol-2-yl)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-[Hydroxy(3-propoxyphenyl)methylene]-5-(4-iodophenyl)-1-(1,3-thiazol-2-yl)-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-[Hydroxy(3-propoxyphényl)méthylène]-5-(4-iodophényl)-1-(1,3-thiazol-2-yl)-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 899.16
ACD/KOC (pH 5.5): 4514.84
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 493.17
ACD/KOC (pH 7.4): 2476.29
Polar Surface Area: 108 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 331.6±3.0 cm3

Click to predict properties on the Chemicalize site


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