ChemSpider 2D Image | 3-(5-Benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methyl-1-piperazinyl)-4(1H)-quinolinone | C31H26F5N5O2

3-(5-Benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methyl-1-piperazinyl)-4(1H)-quinolinone

  • Molecular FormulaC31H26F5N5O2
  • Average mass595.563 Da
  • Monoisotopic mass595.200684 Da
  • ChemSpider ID26327088

More details:






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

3-(5-Benzyl-1,2,4-oxadiazol-3-yl)-6-fluor-1-[2-fluor-4-(trifluormethyl)benzyl]-7-(4-methyl-1-piperazinyl)-4(1H)-chinolinon [German] [ACD/IUPAC Name]
3-(5-Benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluorométhyl)benzyl]-7-(4-méthyl-1-pipérazinyl)-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-(5-Benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methyl-1-piperazinyl)-4(1H)-quinolinone [ACD/IUPAC Name]
3-(5-Benzyl-1,2,4-Oxadiazol-3-Yl)-6-Fluoro-1-[2-Fluoro-4-(Trifluoromethyl)benzyl]-7-(4-Methylpiperazin-1-Yl)quinolin-4(1h)-One
4(1H)-Quinolinone, 6-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-7-(4-methyl-1-piperazinyl)-3-[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
KLI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.1±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 101.01
ACD/KOC (pH 5.5): 309.63
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3114.99
ACD/KOC (pH 7.4): 9548.55
Polar Surface Area: 66 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 431.5±3.0 cm3

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