ChemSpider 2D Image | 3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]-1H-indole-5-carboxylic acid | C29H33N3O5

3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]-1H-indole-5-carboxylic acid

  • Molecular FormulaC29H33N3O5
  • Average mass503.589 Da
  • Monoisotopic mass503.242035 Da
  • ChemSpider ID26633724

More details:






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

1H-Indole-5-carboxylic acid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]- [ACD/Index Name]
3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]-1H-indol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(3-Methyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphenoxy)-2-oxopropyl]-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-(3-méthyl-1,2,4-oxadiazol-5-yl)-1-[3-(4-octylphénoxy)-2-oxopropyl]-1H-indole-5-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 713.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.6±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 141.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 7950.85
ACD/KOC (pH 5.5): 8226.56
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 268.09
ACD/KOC (pH 7.4): 277.39
Polar Surface Area: 107 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 408.1±7.0 cm3

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