ChemSpider 2D Image | N-Cyclohexyl-Nalpha-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-4-fluoro-N-methylphenylalaninamide | C27H35FN2O6S

N-Cyclohexyl-Nα-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-4-fluoro-N-methylphenylalaninamide

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID121703457

More details:

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

Benzenepropanamide, N-cyclohexyl-α-[[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]amino]-4-fluoro-N-methyl- [ACD/Index Name]
N-Cyclohexyl-Nα-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-4-fluor-N-methylphenylalaninamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-Nα-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-4-fluoro-N-methylphenylalaninamide [ACD/IUPAC Name]
N-Cyclohexyl-Nα-{3-[(3,4-diméthoxyphényl)sulfonyl]propanoyl}-4-fluoro-N-méthylphénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.14
ACD/KOC (pH 5.5): 1257.60
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.14
ACD/KOC (pH 7.4): 1257.60
Polar Surface Area: 110 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 418.9±5.0 cm3

Click to predict properties on the Chemicalize site


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