ChemSpider 2D Image | (5E)-5-[4-(Allyloxy)-3-methoxybenzylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one | C23H19N3O5S

(5E)-5-[4-(Allyloxy)-3-methoxybenzylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

  • Molecular FormulaC23H19N3O5S
  • Average mass449.479 Da
  • Monoisotopic mass449.104553 Da
  • ChemSpider ID30574637

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-[4-(Allyloxy)-3-methoxybenzyliden]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-on [German] [ACD/IUPAC Name]
(5E)-5-[4-(Allyloxy)-3-methoxybenzylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [ACD/IUPAC Name]
(5E)-5-[4-(Allyloxy)-3-méthoxybenzylidène]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [French] [ACD/IUPAC Name]
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[[3-methoxy-4-(2-propen-1-yloxy)phenyl]methylene]-, (5E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.08
ACD/KOC (pH 5.5): 2267.42
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.08
ACD/KOC (pH 7.4): 2267.42
Polar Surface Area: 110 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

Click to predict properties on the Chemicalize site


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