ChemSpider 2D Image | Ethyl 4-fluoro-N-(3-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}propanoyl)phenylalanyl-N-methylglycinate | C27H35FN2O6S

Ethyl 4-fluoro-N-(3-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}propanoyl)phenylalanyl-N-methylglycinate

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID121683493

More details:

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

4-Fluoro-N-(3-{[4-(2-méthyl-2-propanyl)phényl]sulfonyl}propanoyl)phénylalanyl-N-méthylglycinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-fluoro-N-(3-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}propanoyl)phenylalanyl-N-methylglycinate [ACD/IUPAC Name]
Ethyl-4-fluor-N-(3-{[4-(2-methyl-2-propanyl)phenyl]sulfonyl}propanoyl)phenylalanyl-N-methylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-1-oxopropyl]-4-fluorophenylalanyl-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: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.7±32.9 °C
Index of Refraction: 1.544
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 425.64
ACD/KOC (pH 5.5): 2651.37
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.64
ACD/KOC (pH 7.4): 2651.37
Polar Surface Area: 118 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

Click to predict properties on the Chemicalize site


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