ChemSpider 2D Image | Ethyl 1-{5-cyano-3-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-3-piperidinecarboxylate | C29H32N4O5S2

Ethyl 1-{5-cyano-3-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-3-piperidinecarboxylate

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID12228697

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{5-Cyano-3-[(E)-{3-[2-(4-méthoxyphényl)éthyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène}méthyl]-1,4-diméthyl-6-oxo-1,6-dihydro-2-pyridinyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[5-cyano-1,6-dihydro-3-[(E)-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-1,4-dimethyl-6-oxo-2-pyridinyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{5-cyano-3-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl 1-{5-cyano-3-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl}piperidine-3-carboxylate
Ethyl-1-{5-cyan-3-[(E)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden}methyl]-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-3-piperidincarboxylat [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: 599.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.52
ACD/KOC (pH 5.5): 501.12
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.53
ACD/KOC (pH 7.4): 501.22
Polar Surface Area: 161 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 421.4±5.0 cm3

Click to predict properties on the Chemicalize site


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