ChemSpider 2D Image | N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-[(5'-fluoro-2'-methoxy-3-biphenylyl)methyl]tetrahydro-2H-pyran-4-carboxamide | C29H40FN3O3

N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-[(5'-fluoro-2'-methoxy-3-biphenylyl)methyl]tetrahydro-2H-pyran-4-carboxamide

  • Molecular FormulaC29H40FN3O3
  • Average mass497.645 Da
  • Monoisotopic mass497.305359 Da
  • ChemSpider ID68633209

More details:

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

2H-Pyran-4-carboxamide, N-[3-(4-ethyl-1-piperazinyl)propyl]-4-[(5'-fluoro-2'-methoxy[1,1'-biphenyl]-3-yl)methyl]tetrahydro- [ACD/Index Name]
N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-[(5'-fluor-2'-methoxy-3-biphenylyl)methyl]tetrahydro-2H-pyran-4-carboxamid [German] [ACD/IUPAC Name]
N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-[(5'-fluoro-2'-methoxy-3-biphenylyl)methyl]tetrahydro-2H-pyran-4-carboxamide [ACD/IUPAC Name]
N-[3-(4-Éthyl-1-pipérazinyl)propyl]-4-[(5'-fluoro-2'-méthoxy-3-biphénylyl)méthyl]tétrahydro-2H-pyrane-4-carboxamide [French] [ACD/IUPAC Name]
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.81
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 48.11
ACD/KOC (pH 7.4): 354.89
Polar Surface Area: 54 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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