ChemSpider 2D Image | 4-[(E)-{2-[4-(Allyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]-2-bromo-6-methoxyphenyl acetate | C23H18BrN3O5S

4-[(E)-{2-[4-(Allyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]-2-bromo-6-methoxyphenyl acetate

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID4881295

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-{2-[4-(Allyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-yliden}methyl]-2-brom-6-methoxyphenyl-acetat [German] [ACD/IUPAC Name]
4-[(E)-{2-[4-(Allyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl]-2-bromo-6-methoxyphenyl acetate [ACD/IUPAC Name]
Acétate de 4-[(E)-{2-[4-(allyloxy)phényl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidène}méthyl]-2-bromo-6-méthoxyphényle [French] [ACD/IUPAC Name]
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[4-(acetyloxy)-3-bromo-5-methoxyphenyl]methylene]-2-[4-(2-propen-1-yloxy)phenyl]-, (5E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 670.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.1±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2293.20
ACD/KOC (pH 5.5): 8851.17
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2293.20
ACD/KOC (pH 7.4): 8851.17
Polar Surface Area: 118 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 347.1±7.0 cm3

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