ChemSpider 2D Image | 6-({2-[(3-Butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide | C33H34N4O4S

6-({2-[(3-Butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID4057305

More details:

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

3-Pyridinecarboxamide, 6-[[2-[(3-butoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl- [ACD/Index Name]
6-({2-[(3-Butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyan-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
6-({2-[(3-Butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
6-({2-[(3-Butoxyphényl)amino]-2-oxoéthyl}sulfanyl)-5-cyano-N-(2-méthoxyphényl)-2-méthyl-4-phényl-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
361474-01-3 [RN]
6-({2-[(3-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
6-[2-(3-BUTOXYANILINO)-2-OXOETHYL]SULFANYL-5-CYANO-N-(2-METHOXYPHENYL)-2-METHYL-4-PHENYL-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE
N-(3-butoxyphenyl)-2-{3-cyano-5-[N-(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl(2-1,4-dihydropyridylthio)}acetamide

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

ChemDiv1_027971 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 810.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.8±3.0 kJ/mol
    Flash Point: 443.8±34.3 °C
    Index of Refraction: 1.646
    Molar Refractivity: 165.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.80
    ACD/LogD (pH 5.5): 6.20
    ACD/BCF (pH 5.5): 30175.75
    ACD/KOC (pH 5.5): 55990.53
    ACD/LogD (pH 7.4): 6.20
    ACD/BCF (pH 7.4): 30177.91
    ACD/KOC (pH 7.4): 55994.53
    Polar Surface Area: 138 Å2
    Polarizability: 65.4±0.5 10-24cm3
    Surface Tension: 61.6±5.0 dyne/cm
    Molar Volume: 455.1±5.0 cm3

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