ChemSpider 2D Image | Ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate | C27H29N3O5S

Ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID3012344

More details:

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

3-Pyridinecarboxylic acid, 5-cyano-6-[[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]thio]-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
5-Cyano-6-({2-[(2,6-diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-(2-éthoxyphényl)-2-oxo-1,2,3,4-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
ethyl 5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Ethyl-5-cyan-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
370844-39-6 [RN]
5-Cyano-6-[(2,6-dimethyl-phenylcarbamoyl)-methylsulfanyl]-4-(2-ethoxy-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyridine-3-carboxylic acid ethyl ester
ethyl 5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

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

ChemDiv1_028695 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 706.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.3±3.0 kJ/mol
    Flash Point: 381.0±32.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 137.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 6.43
    ACD/LogD (pH 5.5): 5.12
    ACD/BCF (pH 5.5): 4570.04
    ACD/KOC (pH 5.5): 14497.54
    ACD/LogD (pH 7.4): 5.11
    ACD/BCF (pH 7.4): 4430.76
    ACD/KOC (pH 7.4): 14055.70
    Polar Surface Area: 143 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 59.9±5.0 dyne/cm
    Molar Volume: 393.4±5.0 cm3

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