ChemSpider 2D Image | Ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate | C27H28N4O6S

Ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

  • Molecular FormulaC27H28N4O6S
  • Average mass536.599 Da
  • Monoisotopic mass536.172974 Da
  • ChemSpider ID4287962

More details:

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

4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(3,4,5-trimethoxyphenyl)-, ethyl ester [ACD/Index Name]
6-Amino-5-cyano-2-{[(3-cyano-4,6-diméthyl-2-pyridinyl)sulfanyl]méthyl}-4-(3,4,5-triméthoxyphényl)-4H-pyrane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate [ACD/IUPAC Name]
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
Ethyl-6-amino-5-cyan-2-{[(3-cyan-4,6-dimethyl-2-pyridinyl)sulfanyl]methyl}-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylat [German] [ACD/IUPAC Name]
370576-67-3 [RN]
ethyl 6-amino-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl(2-pyridylthio))methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 727.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.2±3.0 kJ/mol
    Flash Point: 393.9±32.9 °C
    Index of Refraction: 1.620
    Molar Refractivity: 140.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 149.13
    ACD/KOC (pH 5.5): 1251.16
    ACD/LogD (pH 7.4): 3.16
    ACD/BCF (pH 7.4): 149.29
    ACD/KOC (pH 7.4): 1252.51
    Polar Surface Area: 175 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 66.1±5.0 dyne/cm
    Molar Volume: 399.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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