ChemSpider 2D Image | N-[2-(4-{[(5R)-2,4-Dioxo-1,3-thiazolidin-5-yl]methyl}phenoxy)ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide | C20H26N2O4S3

N-[2-(4-{[(5R)-2,4-Dioxo-1,3-thiazolidin-5-yl]methyl}phenoxy)ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID62693383

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Dithiolane-3-pentanamide, N-[2-[4-[[(5R)-2,4-dioxo-5-thiazolidinyl]methyl]phenoxy]ethyl]-, (3S)- [ACD/Index Name]
N-[2-(4-{[(5R)-2,4-Dioxo-1,3-thiazolidin-5-yl]methyl}phenoxy)ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamid [German] [ACD/IUPAC Name]
N-[2-(4-{[(5R)-2,4-Dioxo-1,3-thiazolidin-5-yl]methyl}phenoxy)ethyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide [ACD/IUPAC Name]
N-[2-(4-{[(5R)-2,4-Dioxo-1,3-thiazolidin-5-yl]méthyl}phénoxy)éthyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±27.3 °C
Index of Refraction: 1.612
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 140.64
ACD/KOC (pH 5.5): 1155.99
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 14.49
ACD/KOC (pH 7.4): 119.11
Polar Surface Area: 160 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 348.2±3.0 cm3

Click to predict properties on the Chemicalize site


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