ChemSpider 2D Image | (4E)-4-[4-(Difluoromethoxy)-3,5-dimethylbenzylidene]-2-ethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid | C25H24F2N2O3

(4E)-4-[4-(Difluoromethoxy)-3,5-dimethylbenzylidene]-2-ethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

  • Molecular FormulaC25H24F2N2O3
  • Average mass438.466 Da
  • Monoisotopic mass438.175507 Da
  • ChemSpider ID22838078

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[4-(Difluormethoxy)-3,5-dimethylbenzyliden]-2-ethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-carbonsäure [German] [ACD/IUPAC Name]
(4E)-4-[4-(Difluoromethoxy)-3,5-dimethylbenzylidene]-2-ethyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acid [ACD/IUPAC Name]
Acide (4E)-4-[4-(difluorométhoxy)-3,5-diméthylbenzylidène]-2-éthyl-1,2,3,4-tétrahydrobenzo[b][1,6]naphtyridine-10-carboxylique [French] [ACD/IUPAC Name]
Benzo[b][1,6]naphthyridine-10-carboxylic acid, 4-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylene]-2-ethyl-1,2,3,4-tetrahydro-, (4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 29.08
ACD/KOC (pH 5.5): 76.77
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 7.63
ACD/KOC (pH 7.4): 20.14
Polar Surface Area: 63 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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