ChemSpider 2D Image | Ethyl 1-[({5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate | C14H20N4O4S3

Ethyl 1-[({5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate

  • Molecular FormulaC14H20N4O4S3
  • Average mass404.528 Da
  • Monoisotopic mass404.064667 Da
  • ChemSpider ID22554597

More details:

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

1-[2-({5-[(2-Amino-2-oxoéthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acétyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[({5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[({5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-4-piperidincarboxylat [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: 643.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 81.44
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 81.44
Polar Surface Area: 194 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

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