ChemSpider 2D Image | Ethyl N-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanoyl]methionyl-N-methyl-beta-alaninate | C28H37FN2O6S

Ethyl N-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanoyl]methionyl-N-methyl-β-alaninate

  • Molecular FormulaC28H37FN2O6S
  • Average mass548.667 Da
  • Monoisotopic mass548.235657 Da
  • ChemSpider ID121782758

More details:

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

Ethyl N-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanoyl]methionyl-N-methyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[3-(3,4-dimethoxyphenyl)-3-(4-fluorphenyl)propanoyl]methionyl-N-methyl-β-alaninat [German] [ACD/IUPAC Name]
N-[3-(3,4-Diméthoxyphényl)-3-(4-fluorophényl)propanoyl]méthionyl-N-méthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxopropyl]methionyl-N-methyl-, ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 619.24
ACD/KOC (pH 5.5): 3467.49
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 619.24
ACD/KOC (pH 7.4): 3467.50
Polar Surface Area: 119 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 464.5±3.0 cm3

Click to predict properties on the Chemicalize site


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