ChemSpider 2D Image | 6-(1H-Indol-1-yl)-2-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-3(2H)-pyridazinone | C27H28F3N5O

6-(1H-Indol-1-yl)-2-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-3(2H)-pyridazinone

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID24705764

More details:

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

3(2H)-Pyridazinone, 6-(1H-indol-1-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]- [ACD/Index Name]
6-(1H-Indol-1-yl)-2-(4-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}butyl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-(1H-Indol-1-yl)-2-(4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butyl)-3(2H)-pyridazinone [ACD/IUPAC Name]
6-(1H-Indol-1-yl)-2-(4-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}butyl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490613/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.8±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 27.52
ACD/KOC (pH 5.5): 110.45
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1021.86
ACD/KOC (pH 7.4): 4101.27
Polar Surface Area: 44 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 383.3±7.0 cm3

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