ChemSpider 2D Image | Methyl 4-[(4-{2-(2-fluorophenyl)-1-[methyl(2-methyl-3-furoyl)amino]ethyl}-1-piperidinyl)methyl]benzoate | C29H33FN2O4

Methyl 4-[(4-{2-(2-fluorophenyl)-1-[methyl(2-methyl-3-furoyl)amino]ethyl}-1-piperidinyl)methyl]benzoate

  • Molecular FormulaC29H33FN2O4
  • Average mass492.582 Da
  • Monoisotopic mass492.242432 Da
  • ChemSpider ID22244697

More details:

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

4-[(4-{2-(2-Fluorophényl)-1-[méthyl(2-méthyl-3-furoyl)amino]éthyl}-1-pipéridinyl)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[2-(2-fluorophenyl)-1-[methyl[(2-methyl-3-furanyl)carbonyl]amino]ethyl]-1-piperidinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(4-{2-(2-fluorophenyl)-1-[methyl(2-methyl-3-furoyl)amino]ethyl}-1-piperidinyl)methyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(4-{2-(2-fluorphenyl)-1-[methyl(2-methyl-3-furoyl)amino]ethyl}-1-piperidinyl)methyl]benzoat [German] [ACD/IUPAC 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: 624.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 12.14
ACD/KOC (pH 5.5): 46.64
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 609.02
ACD/KOC (pH 7.4): 2339.10
Polar Surface Area: 63 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 413.0±3.0 cm3

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