ChemSpider 2D Image | 3-(3'-{[Methyl(octanoyl)amino]methyl}-2-[2-(1-piperazinyl)ethoxy]-4-biphenylyl)propanoic acid | C31H45N3O4

3-(3'-{[Methyl(octanoyl)amino]methyl}-2-[2-(1-piperazinyl)ethoxy]-4-biphenylyl)propanoic acid

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID9838375

More details:

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

[1,1'-Biphenyl]-4-propanoic acid, 3'-[[methyl(1-oxooctyl)amino]methyl]-2-[2-(1-piperazinyl)ethoxy]- [ACD/Index Name]
3-(3'-{[Methyl(octanoyl)amino]methyl}-2-[2-(1-piperazinyl)ethoxy]-4-biphenylyl)propanoic acid [ACD/IUPAC Name]
3-(3'-{[Methyl(octanoyl)amino]methyl}-2-[2-(1-piperazinyl)ethoxy]-4-biphenylyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(3'-{[méthyl(octanoyl)amino]méthyl}-2-[2-(1-pipérazinyl)éthoxy]-4-biphénylyl)propanoïque [French] [ACD/IUPAC 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: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 26.79
ACD/KOC (pH 5.5): 69.48
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 29.15
ACD/KOC (pH 7.4): 75.59
Polar Surface Area: 82 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 478.0±3.0 cm3

Click to predict properties on the Chemicalize site


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