ChemSpider 2D Image | Methyl 5-({4-[N-methyl-N-(2-thienylcarbonyl)glycyl]-1-piperazinyl}sulfonyl)-3-thiophenecarboxylate | C18H21N3O6S3

Methyl 5-({4-[N-methyl-N-(2-thienylcarbonyl)glycyl]-1-piperazinyl}sulfonyl)-3-thiophenecarboxylate

  • Molecular FormulaC18H21N3O6S3
  • Average mass471.571 Da
  • Monoisotopic mass471.059235 Da
  • ChemSpider ID33675342

More details:

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

3-Thiophenecarboxylic acid, 5-[[4-[2-[methyl(2-thienylcarbonyl)amino]acetyl]-1-piperazinyl]sulfonyl]-, methyl ester [ACD/Index Name]
5-({4-[N-Méthyl-N-(2-thiénylcarbonyl)glycyl]-1-pipérazinyl}sulfonyl)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({4-[N-methyl-N-(2-thienylcarbonyl)glycyl]-1-piperazinyl}sulfonyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-({4-[N-methyl-N-(2-thienylcarbonyl)glycyl]-1-piperazinyl}sulfonyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 710.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.78
ACD/KOC (pH 5.5): 122.23
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.78
ACD/KOC (pH 7.4): 122.23
Polar Surface Area: 169 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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