ChemSpider 2D Image | Diethyl 5-[({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]oxy}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate | C26H28N2O9S

Diethyl 5-[({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]oxy}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC26H28N2O9S
  • Average mass544.573 Da
  • Monoisotopic mass544.151550 Da
  • ChemSpider ID12252459

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-methyl-1-oxobutoxy]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-[(2-{[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-méthylbutanoyl]oxy}acétyl)amino]-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-[({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]oxy}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl 5-[({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]oxy}acetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Diethyl-5-[({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]oxy}acetyl)amino]-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4061.07
ACD/KOC (pH 5.5): 13324.71
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4060.47
ACD/KOC (pH 7.4): 13322.77
Polar Surface Area: 174 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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