ChemSpider 2D Image | Diethyl 5-[({[2-(4-acetamidophenyl)-2-oxoethyl]sulfinyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate | C23H26N2O8S2

Diethyl 5-[({[2-(4-acetamidophenyl)-2-oxoethyl]sulfinyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC23H26N2O8S2
  • Average mass522.591 Da
  • Monoisotopic mass522.113037 Da
  • ChemSpider ID60195432

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[2-[4-(acetylamino)phenyl]-2-oxoethyl]sulfinyl]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-[(2-{[2-(4-Acétamidophényl)-2-oxoéthyl]sulfinyl}acétyl)amino]-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-[({[2-(4-acetamidophenyl)-2-oxoethyl]sulfinyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-[({[2-(4-acetamidophenyl)-2-oxoethyl]sulfinyl}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: 831.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.55
ACD/KOC (pH 5.5): 1187.32
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.52
ACD/KOC (pH 7.4): 1187.12
Polar Surface Area: 192 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 372.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement