ChemSpider 2D Image | 3-[(5-Fluoro-3-methyl-1H-indol-2-yl)methyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one | C20H27FN4O

3-[(5-Fluoro-3-methyl-1H-indol-2-yl)methyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

  • Molecular FormulaC20H27FN4O
  • Average mass358.453 Da
  • Monoisotopic mass358.216888 Da
  • ChemSpider ID29622826

More details:

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

3,7,11-Triazaspiro[5.6]dodecan-12-one, 3-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-7-methyl- [ACD/Index Name]
3-[(5-Fluor-3-methyl-1H-indol-2-yl)methyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-on [German] [ACD/IUPAC Name]
3-[(5-Fluoro-3-methyl-1H-indol-2-yl)methyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one [ACD/IUPAC Name]
3-[(5-Fluoro-3-méthyl-1H-indol-2-yl)méthyl]-7-méthyl-3,7,11-triazaspiro[5.6]dodécan-12-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.2±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 101.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 51 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 284.1±5.0 cm3

Click to predict properties on the Chemicalize site


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