ChemSpider 2D Image | 3-{2-[2-{[Butyl(hexyl)amino]methyl}-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}-1,3-thiazolidine-2,4-dione | C27H45N3O4S

3-{2-[2-{[Butyl(hexyl)amino]methyl}-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID123515893

More details:

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

2,4-Thiazolidinedione, 3-[2-[2-[(butylhexylamino)methyl]-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]ethyl]- [ACD/Index Name]
3-{2-[2-{[Butyl(hexyl)amino]methyl}-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
3-{2-[2-{[Butyl(hexyl)amino]methyl}-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]ethyl}-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
3-{2-[2-{[Butyl(hexyl)amino]méthyl}-5-(hexyloxy)-4-oxo-1(4H)-pyridinyl]éthyl}-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 611.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.4±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 5.90
ACD/KOC (pH 5.5): 16.56
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 29.84
ACD/KOC (pH 7.4): 83.73
Polar Surface Area: 95 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

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