ChemSpider 2D Image | (2Z,3E)-4-(1,3-Benzodioxol-5-yl)-3-[hydroxy(4-methylphenyl)methylene]-2-imino-1-[2-(trifluoromethyl)phenyl]-2,3,4,6,7,8-hexahydro-5(1H)-quinolinone | C31H25F3N2O4

(2Z,3E)-4-(1,3-Benzodioxol-5-yl)-3-[hydroxy(4-methylphenyl)methylene]-2-imino-1-[2-(trifluoromethyl)phenyl]-2,3,4,6,7,8-hexahydro-5(1H)-quinolinone

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID88295558
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z,3E)-4-(1,3-Benzodioxol-5-yl)-3-[hydroxy(4-methylphenyl)methylen]-2-imino-1-[2-(trifluormethyl)phenyl]-2,3,4,6,7,8-hexahydro-5(1H)-chinolinon [German] [ACD/IUPAC Name]
(2Z,3E)-4-(1,3-Benzodioxol-5-yl)-3-[hydroxy(4-méthylphényl)méthylène]-2-imino-1-[2-(trifluorométhyl)phényl]-2,3,4,6,7,8-hexahydro-5(1H)-quinoléinone [French] [ACD/IUPAC Name]
(2Z,3E)-4-(1,3-Benzodioxol-5-yl)-3-[hydroxy(4-methylphenyl)methylene]-2-imino-1-[2-(trifluoromethyl)phenyl]-2,3,4,6,7,8-hexahydro-5(1H)-quinolinone [ACD/IUPAC Name]
5(1H)-Quinolinone, 4-(1,3-benzodioxol-5-yl)-2,3,4,6,7,8-hexahydro-3-[hydroxy(4-methylphenyl)methylene]-2-imino-1-[2-(trifluoromethyl)phenyl]-, (2Z,3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 177.70
ACD/KOC (pH 5.5): 377.89
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 134.17
ACD/KOC (pH 7.4): 285.31
Polar Surface Area: 83 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 388.0±7.0 cm3

Click to predict properties on the Chemicalize site






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