ChemSpider 2D Image | 2-[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-4-yl)oxy]-2-methylpropanoic acid | C35H35NO5

2-[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-4-yl)oxy]-2-methylpropanoic acid

  • Molecular FormulaC35H35NO5
  • Average mass549.656 Da
  • Monoisotopic mass549.251526 Da
  • ChemSpider ID17249458

More details:

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

2-[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-4-yl)oxy]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-4-yl)oxy]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[(1-{3-[(6-benzoyl-1-propyl-2-naphtyl)oxy]propyl}-1H-indol-4-yl)oxy]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[1-[3-[(6-benzoyl-1-propyl-2-naphthalenyl)oxy]propyl]-1H-indol-4-yl]oxy]-2-methyl- [ACD/Index Name]
CHEMBL216395
DRD

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

Density: 1.2±0.1 g/cm3
Boiling Point: 746.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.3±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 160.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 42322.16
ACD/KOC (pH 5.5): 46348.85
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 713.77
ACD/KOC (pH 7.4): 781.68
Polar Surface Area: 78 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 470.9±7.0 cm3

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