ChemSpider 2D Image | Ethyl 2-methyl-5-[3-(1-piperidinyl)propoxy]-1-[4-(trifluoromethyl)benzyl]-1H-indole-3-carboxylate | C28H33F3N2O3

Ethyl 2-methyl-5-[3-(1-piperidinyl)propoxy]-1-[4-(trifluoromethyl)benzyl]-1H-indole-3-carboxylate

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID58864650

More details:

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

1H-Indole-3-carboxylic acid, 2-methyl-5-[3-(1-piperidinyl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]-, ethyl ester [ACD/Index Name]
2-Méthyl-5-[3-(1-pipéridinyl)propoxy]-1-[4-(trifluorométhyl)benzyl]-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-methyl-5-[3-(1-piperidinyl)propoxy]-1-[4-(trifluoromethyl)benzyl]-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-5-[3-(1-piperidinyl)propoxy]-1-[4-(trifluormethyl)benzyl]-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 37.29
ACD/KOC (pH 5.5): 64.09
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 494.41
ACD/KOC (pH 7.4): 849.65
Polar Surface Area: 44 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 412.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement