ChemSpider 2D Image | Methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate | C27H27N3O5S

Methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID3068262

More details:






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

3-Pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-2-oxo-, methyl ester [ACD/Index Name]
6-({2-[(4-Acétylphényl)amino]-2-oxoéthyl}sulfanyl)-5-cyano-4-(4-isopropylphényl)-2-oxo-1,2,3,4-tétrahydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Methyl-6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyan-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
384357-06-6 [RN]
6-[(4-Acetyl-phenylcarbamoyl)-methylsulfanyl]-5-cyano-4-(4-isopropyl-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyridine-3-carboxylic acid methyl ester
methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate
methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

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

ChemDiv1_009428 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 758.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 110.5±3.0 kJ/mol
    Flash Point: 412.6±32.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 135.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.03
    ACD/LogD (pH 5.5): 4.70
    ACD/BCF (pH 5.5): 2207.42
    ACD/KOC (pH 5.5): 8611.97
    ACD/LogD (pH 7.4): 4.69
    ACD/BCF (pH 7.4): 2143.47
    ACD/KOC (pH 7.4): 8362.49
    Polar Surface Area: 151 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 61.5±5.0 dyne/cm
    Molar Volume: 385.3±5.0 cm3

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