ChemSpider 2D Image | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol | C28H28FN3O2

2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol

  • Molecular FormulaC28H28FN3O2
  • Average mass457.539 Da
  • Monoisotopic mass457.216553 Da
  • ChemSpider ID25058514

More details:

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

[2-(3-Fluor-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[2-(3-Fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](1-piperazinyl)methanone [ACD/IUPAC Name]
[2-(3-Fluoro-2-méthylbenzyl)-5-hydroxy-4-méthyl-1-phényl-1H-indol-3-yl](1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
Methanone, [2-[(3-fluoro-2-methylphenyl)methyl]-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-1-piperazinyl- [ACD/Index Name]
SSR

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 317.9±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 20.87
ACD/KOC (pH 5.5): 78.26
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 940.91
ACD/KOC (pH 7.4): 3528.96
Polar Surface Area: 58 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 362.3±7.0 cm3

Click to predict properties on the Chemicalize site


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