ChemSpider 2D Image | (5Z)-5-(4-Methoxybenzylidene)-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-one | C27H31N3O3S2

(5Z)-5-(4-Methoxybenzylidene)-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-one

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID4841689

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-(4-Methoxybenzyliden)-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5Z)-5-(4-Methoxybenzylidene)-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5Z)-5-(4-Méthoxybenzylidène)-3-[6-oxo-6-(4-phényl-1-pipérazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
(5Z)-5-(4-Methoxybenzylidene)-3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]-2-thioxo-1,3-thiazolidin-4-one
4-Thiazolidinone, 5-[(4-methoxyphenyl)methylene]-3-[6-oxo-6-(4-phenyl-1-piperazinyl)hexyl]-2-thioxo-, (5Z)- [ACD/Index Name]
5-[(4-methoxyphenyl)methylene]-3-[6-oxo-6-(4-phenylpiperazinyl)hexyl]-2-thioxo-1,3-thiazolidin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.1±70.0 °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: 381.5±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.16
ACD/KOC (pH 5.5): 1870.06
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.17
ACD/KOC (pH 7.4): 1884.41
Polar Surface Area: 110 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 387.0±5.0 cm3

Click to predict properties on the Chemicalize site


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