ChemSpider 2D Image | 3-({[2-(5-Bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopropyl-4H-1,2,4-triazol-4-amine | C16H16BrN5OS2

3-({[2-(5-Bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopropyl-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID21996156

More details:

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

3-({[2-(5-Brom-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopropyl-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
3-({[2-(5-Bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopropyl-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-({[2-(5-Bromo-2-méthoxyphényl)-1,3-thiazol-4-yl]méthyl}sulfanyl)-5-cyclopropyl-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]thio]-5-cyclopropyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 678.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.3±34.3 °C
Index of Refraction: 1.808
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.95
ACD/KOC (pH 5.5): 1232.21
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.03
ACD/KOC (pH 7.4): 1232.88
Polar Surface Area: 132 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 245.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement