ChemSpider 2D Image | 3-[(Methyl{3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]propyl}amino)methyl]phenyl heptylcarbamate | C34H40N2O5

3-[(Methyl{3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]propyl}amino)methyl]phenyl heptylcarbamate

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID8802655

More details:

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

3-[(Methyl{3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]propyl}amino)methyl]phenyl heptylcarbamate [ACD/IUPAC Name]
3-[(Methyl{3-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]propyl}amino)methyl]phenyl-heptylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-heptyl-, 3-[[methyl[3-[(4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]propyl]amino]methyl]phenyl ester [ACD/Index Name]
Heptylcarbamate de 3-[(méthyl{3-[(4-oxo-2-phényl-4H-chromén-7-yl)oxy]propyl}amino)méthyl]phényle [French] [ACD/IUPAC Name]
Heptyl-carbamic acid 3-({methyl-[3-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-propyl]-amino}-methyl)-phenyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 160.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 1047.21
ACD/KOC (pH 5.5): 1050.00
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 53470.60
ACD/KOC (pH 7.4): 53613.28
Polar Surface Area: 77 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 482.7±3.0 cm3

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