ChemSpider 2D Image | [6-Bromo-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone | C22H28BrNO2

[6-Bromo-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone

  • Molecular FormulaC22H28BrNO2
  • Average mass418.367 Da
  • Monoisotopic mass417.130341 Da
  • ChemSpider ID23325236

More details:

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

[6-Brom-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanon [German] [ACD/IUPAC Name]
[6-Bromo-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone [ACD/IUPAC Name]
[6-Bromo-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-indol-3-yl](2,2,3,3-tétraméthylcyclopropyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [6-bromo-1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL271838/
Tetrahydropyranyl-methyl analogue, 11

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

Density: 1.4±0.1 g/cm3
Boiling Point: 513.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.4±24.6 °C
Index of Refraction: 1.620
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8158.21
ACD/KOC (pH 5.5): 21953.83
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8158.21
ACD/KOC (pH 7.4): 21953.83
Polar Surface Area: 31 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 307.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement