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Search term: PYHGCNIYRRGMIK (Found by InChIKey (skeleton match))

ChemSpider 2D Image | {2-[3-({7-[Benzyl(methyl)amino]heptyl}oxy)phenyl]-1-benzofuran-3-yl}(3-methoxyphenyl)methanone | C37H39NO4

{2-[3-({7-[Benzyl(methyl)amino]heptyl}oxy)phenyl]-1-benzofuran-3-yl}(3-methoxyphenyl)methanone

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID28667596

More details:






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

{2-[3-({7-[Benzyl(methyl)amino]heptyl}oxy)phenyl]-1-benzofuran-3-yl}(3-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
{2-[3-({7-[Benzyl(methyl)amino]heptyl}oxy)phenyl]-1-benzofuran-3-yl}(3-methoxyphenyl)methanone [ACD/IUPAC Name]
{2-[3-({7-[Benzyl(méthyl)amino]heptyl}oxy)phényl]-1-benzofuran-3-yl}(3-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, (3-methoxyphenyl)[2-[3-[[7-[methyl(phenylmethyl)amino]heptyl]oxy]phenyl]-3-benzofuranyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.4±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 2209.26
ACD/KOC (pH 5.5): 1296.50
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 65136.04
ACD/KOC (pH 7.4): 38224.91
Polar Surface Area: 52 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 497.8±3.0 cm3

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