ChemSpider 2D Image | MFCD01416850 | C29H24N4O4S

MFCD01416850

  • Molecular FormulaC29H24N4O4S
  • Average mass524.590 Da
  • Monoisotopic mass524.151855 Da
  • ChemSpider ID3869606

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-6-phenyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, ethyl ester [ACD/Index Name]
6-Amino-5-cyano-2-{[(3-cyano-6-phényl-2-pyridinyl)sulfanyl]méthyl}-4-(4-méthoxyphényl)-4H-pyrane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate [ACD/IUPAC Name]
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-phenylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Ethyl-6-amino-5-cyan-2-{[(3-cyan-6-phenyl-2-pyridinyl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylat [German] [ACD/IUPAC Name]
MFCD01416850
340817-64-3 [RN]
6-Amino-5-cyano-2-(3-cyano-6-phenyl-pyridin-2-ylsulfanylmethyl)-4-(4-methoxy-phenyl)-4H-pyran-3-car boxylic acid ethyl ester
AC1NFCOL
AGN-PC-0KAK9Y
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MLS000552627 [DBID]
SMR000146142 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 759.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 110.7±3.0 kJ/mol
    Flash Point: 413.3±32.9 °C
    Index of Refraction: 1.670
    Molar Refractivity: 143.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.03
    ACD/LogD (pH 5.5): 4.86
    ACD/BCF (pH 5.5): 2921.38
    ACD/KOC (pH 5.5): 10522.13
    ACD/LogD (pH 7.4): 4.86
    ACD/BCF (pH 7.4): 2925.09
    ACD/KOC (pH 7.4): 10535.51
    Polar Surface Area: 157 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 72.5±5.0 dyne/cm
    Molar Volume: 383.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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