ChemSpider 2D Image | Allyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxylate | C27H27N3O5S

Allyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID3561877

More details:

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

3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-, 2-propen-1-yl ester [ACD/Index Name]
5-Cyano-4-(4-hydroxy-3-méthoxyphényl)-2-méthyl-6-({2-[(2-méthylphényl)amino]-2-oxoéthyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxylate d'allyle [French] [ACD/IUPAC Name]
Allyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Allyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Allyl-5-cyan-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
442556-24-3 [RN]
5-Cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-(o-tolylcarbamoyl-methylsulfanyl)-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
allyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
prop-2-enyl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 708.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.3±3.0 kJ/mol
    Flash Point: 382.1±32.9 °C
    Index of Refraction: 1.643
    Molar Refractivity: 138.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 4.22
    ACD/BCF (pH 5.5): 942.25
    ACD/KOC (pH 5.5): 4682.70
    ACD/LogD (pH 7.4): 4.21
    ACD/BCF (pH 7.4): 938.70
    ACD/KOC (pH 7.4): 4665.09
    Polar Surface Area: 146 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 381.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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