ChemSpider 2D Image | (2R,4R)-N-{4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butyl}-2-ethyl-3-propionyl-1,3-thiazolidine-4-carboxamide | C29H48N2O3S

(2R,4R)-N-{4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butyl}-2-ethyl-3-propionyl-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC29H48N2O3S
  • Average mass504.768 Da
  • Monoisotopic mass504.338562 Da
  • ChemSpider ID62447684

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-N-{4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butyl}-2-ethyl-3-propionyl-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(2R,4R)-N-{4-[2,4-Bis(2-methyl-2-butanyl)phenoxy]butyl}-2-ethyl-3-propionyl-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(2R,4R)-N-{4-[2,4-Bis(2-méthyl-2-butanyl)phénoxy]butyl}-2-éthyl-3-propionyl-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2-ethyl-3-(1-oxopropyl)-, (2R,4R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52092.24
ACD/KOC (pH 5.5): 82765.27
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52092.24
ACD/KOC (pH 7.4): 82765.27
Polar Surface Area: 84 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 489.0±3.0 cm3

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