ChemSpider 2D Image | 3-[3-(3,3-Dimethylbutanoyl)-1-(4-iodobenzyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid | C36H37IN2O4

3-[3-(3,3-Dimethylbutanoyl)-1-(4-iodobenzyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

  • Molecular FormulaC36H37IN2O4
  • Average mass688.594 Da
  • Monoisotopic mass688.179810 Da
  • ChemSpider ID14276366

More details:

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

1H-Indole-2-propanoic acid, 3-(3,3-dimethyl-1-oxobutyl)-1-[(4-iodophenyl)methyl]-α,α-dimethyl-5-(2-quinolinylmethoxy)- [ACD/Index Name]
3-[3-(3,3-Dimethylbutanoyl)-1-(4-iodobenzyl)-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-[3-(3,3-Dimethylbutanoyl)-1-(4-Iodobenzyl)-5-(Quinolin-2-Ylmethoxy)-1h-Indol-2-Yl]-2,2-Dimethylpropanoic Acid
3-[5-(2-Chinolinylmethoxy)-3-(3,3-dimethylbutanoyl)-1-(4-iodbenzyl)-1H-indol-2-yl]-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(3,3-diméthylbutanoyl)-1-(4-iodobenzyl)-5-(2-quinoléinylméthoxy)-1H-indol-2-yl]-2,2-diméthylpropanoïque [French] [ACD/IUPAC Name]
3CS

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

Density: 1.4±0.1 g/cm3
Boiling Point: 784.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.1±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 179.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 57422.34
ACD/KOC (pH 5.5): 49673.31
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 925.61
ACD/KOC (pH 7.4): 800.71
Polar Surface Area: 81 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 506.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement