ChemSpider 2D Image | N-[3-(6-Fluoro-1H-indol-1-yl)propyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide | C21H16F4N2OS

N-[3-(6-Fluoro-1H-indol-1-yl)propyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC21H16F4N2OS
  • Average mass420.423 Da
  • Monoisotopic mass420.091949 Da
  • ChemSpider ID112220221

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[3-(6-fluoro-1H-indol-1-yl)propyl]-5-(trifluoromethyl)- [ACD/Index Name]
N-[3-(6-Fluor-1H-indol-1-yl)propyl]-5-(trifluormethyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-[3-(6-Fluoro-1H-indol-1-yl)propyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[3-(6-Fluoro-1H-indol-1-yl)propyl]-5-(trifluorométhyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5486.37
ACD/KOC (pH 5.5): 16526.16
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5486.37
ACD/KOC (pH 7.4): 16526.16
Polar Surface Area: 62 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 300.7±7.0 cm3

Click to predict properties on the Chemicalize site


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