ChemSpider 2D Image | 4-Fluoro-N-[3-hydroxy-4-(1-piperidinyl)butyl]-Nalpha-(3,4,5-trimethoxybenzoyl)phenylalaninamide | C28H38FN3O6

4-Fluoro-N-[3-hydroxy-4-(1-piperidinyl)butyl]-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamide

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID120977481

More details:

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

4-Fluor-N-[3-hydroxy-4-(1-piperidinyl)butyl]-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamid [German] [ACD/IUPAC Name]
4-Fluoro-N-[3-hydroxy-4-(1-piperidinyl)butyl]-Nα-(3,4,5-trimethoxybenzoyl)phenylalaninamide [ACD/IUPAC Name]
4-Fluoro-N-[3-hydroxy-4-(1-pipéridinyl)butyl]-Nα-(3,4,5-triméthoxybenzoyl)phénylalaninamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-fluoro-N-[3-hydroxy-4-(1-piperidinyl)butyl]-α-[(3,4,5-trimethoxybenzoyl)amino]- [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: 723.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.1±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 15.31
Polar Surface Area: 109 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

Click to predict properties on the Chemicalize site


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