ChemSpider 2D Image | Ethyl 1-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}benzyl)-4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate | C33H35FN2O6

Ethyl 1-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}benzyl)-4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID4202525

More details:

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

1-(3-{[2-(3,4-Diméthoxyphényl)éthyl]carbamoyl}benzyl)-4-(3-fluorophényl)-2-méthyl-6-oxo-1,4,5,6-tétrahydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[[3-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]carbonyl]phenyl]methyl]-4-(3-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}benzyl)-4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}benzyl)-4-(3-fluorphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2240.66
ACD/KOC (pH 5.5): 8705.54
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2240.66
ACD/KOC (pH 7.4): 8705.54
Polar Surface Area: 94 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 469.7±3.0 cm3

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