ChemSpider 2D Image | 1-Ethyl-6-methyl-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone | C21H16F3N3O2

1-Ethyl-6-methyl-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone

  • Molecular FormulaC21H16F3N3O2
  • Average mass399.366 Da
  • Monoisotopic mass399.119446 Da
  • ChemSpider ID25981034

More details:

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

1-Ethyl-6-methyl-3-{3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-chinolinon [German] [ACD/IUPAC Name]
1-Éthyl-6-méthyl-3-{3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
1-Ethyl-6-methyl-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 1-ethyl-6-methyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
1260730-64-0 [RN]
1-ethyl-6-methyl-3-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)quinolin-4(1H)-one
1-ethyl-6-methyl-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,4-dihydroquinolin-4-one
1-ethyl-6-methyl-3-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}quinolin-4(1H)-one
MFCD27146133

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.4±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2458.34
ACD/KOC (pH 5.5): 9302.65
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2458.56
ACD/KOC (pH 7.4): 9303.47
Polar Surface Area: 59 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


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