ChemSpider 2D Image | Allyl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate | C28H29N3O5S

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

  • Molecular FormulaC28H29N3O5S
  • Average mass519.612 Da
  • Monoisotopic mass519.182800 Da
  • ChemSpider ID2982454

More details:

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

3-Pyridinecarboxylic acid, 5-cyano-6-[[2-[(2,5-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-, 2-propen-1-yl ester [ACD/Index Name]
5-Cyano-6-({2-[(2,5-diméthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-(4-hydroxy-3-méthoxyphényl)-2-méthyl-1,4-dihydro-3-pyridinecarboxylate d'allyle [French] [ACD/IUPAC Name]
Allyl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Allyl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Allyl-5-cyan-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
442556-43-6 [RN]
5-Cyano-6-[(2,5-dimethyl-phenylcarbamoyl)-methylsulfanyl]-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
allyl 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
prop-2-en-1-yl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 707.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±3.0 kJ/mol
    Flash Point: 381.8±32.9 °C
    Index of Refraction: 1.637
    Molar Refractivity: 142.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.23
    ACD/LogD (pH 5.5): 4.55
    ACD/BCF (pH 5.5): 1676.12
    ACD/KOC (pH 5.5): 7071.98
    ACD/LogD (pH 7.4): 4.54
    ACD/BCF (pH 7.4): 1669.84
    ACD/KOC (pH 7.4): 7045.50
    Polar Surface Area: 146 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 397.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement