ChemSpider 2D Image | Ethyl 2,6-bis(4-fluorophenyl)-5-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylate | C27H21F2NO3S

Ethyl 2,6-bis(4-fluorophenyl)-5-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC27H21F2NO3S
  • Average mass477.522 Da
  • Monoisotopic mass477.121033 Da
  • ChemSpider ID21133300

More details:

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

2,6-Bis(4-fluorophényl)-5-[(4-méthylphényl)sulfanyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2,6-bis(4-fluorophenyl)-1,4-dihydro-5-[(4-methylphenyl)thio]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2,6-bis(4-fluorophenyl)-5-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-2,6-bis(4-fluorphenyl)-5-[(4-methylphenyl)sulfanyl]-4-oxo-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2054.53
ACD/KOC (pH 5.5): 8121.40
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 691.92
ACD/KOC (pH 7.4): 2735.09
Polar Surface Area: 81 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

Click to predict properties on the Chemicalize site


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