ChemSpider 2D Image | 3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-fluoro-1H-indole-7-carbonitrile | C22H17FN4O3

3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-fluoro-1H-indole-7-carbonitrile

  • Molecular FormulaC22H17FN4O3
  • Average mass404.394 Da
  • Monoisotopic mass404.128479 Da
  • ChemSpider ID19627883

More details:

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

1H-Indole-7-carbonitrile, 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro- [ACD/Index Name]
3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-fluor-1H-indol-7-carbonitril [German] [ACD/IUPAC Name]
3-[(4-Benzoyl-1-piperazinyl)(oxo)acetyl]-4-fluoro-1H-indole-7-carbonitrile [ACD/IUPAC Name]
3-[2-(4-Benzoyl-1-pipérazinyl)-2-oxoacétyl]-4-fluoro-1H-indole-7-carbonitrile [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495004/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 675.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.62
ACD/KOC (pH 5.5): 104.04
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 104.04
Polar Surface Area: 97 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 276.3±5.0 cm3

Click to predict properties on the Chemicalize site


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