ChemSpider 2D Image | Ethyl 4-{3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-1-piperazinecarboxylate | C23H29N5O4S2

Ethyl 4-{3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID1454637

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[(Z)-(3-butyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-5-cyano-1,6-dihydro-1,4-dimethyl-6-oxo-2-pyridinyl]-, ethyl ester [ACD/Index Name]
4-{3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-5-cyano-1,4-diméthyl-6-oxo-1,6-dihydro-2-pyridinyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
ethyl 4-{3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl}piperazine-1-carboxylate
Ethyl-4-{3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-5-cyan-1,4-dimethyl-6-oxo-1,6-dihydro-2-pyridinyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 4-(3-((3-butyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl)piperazine-1-carboxylate
619268-88-1 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 519.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±3.0 kJ/mol
    Flash Point: 267.8±32.9 °C
    Index of Refraction: 1.657
    Molar Refractivity: 133.7±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): -0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.81
    ACD/LogD (pH 7.4): 1.19
    ACD/BCF (pH 7.4): 4.31
    ACD/KOC (pH 7.4): 89.42
    Polar Surface Area: 155 Å2
    Polarizability: 53.0±0.5 10-24cm3
    Surface Tension: 71.6±5.0 dyne/cm
    Molar Volume: 363.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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