ChemSpider 2D Image | 3-(2-Bromo-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole | C19H15BrN4OS

3-(2-Bromo-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole

  • Molecular FormulaC19H15BrN4OS
  • Average mass427.318 Da
  • Monoisotopic mass426.014984 Da
  • ChemSpider ID21126140

More details:

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

3-(2-Brom-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(2-Bromo-5-methoxyphenyl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(2-Bromo-5-méthoxyphényl)-5-méthyl-1-(4-phényl-1,3-thiazol-2-yl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 2-[3-(2-bromo-5-methoxyphenyl)-5-methyl-1H-1,2,4-triazol-1-yl]-4-phenyl- [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: 631.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 109.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3158.59
ACD/KOC (pH 5.5): 11130.95
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3158.60
ACD/KOC (pH 7.4): 11130.96
Polar Surface Area: 81 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site


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