ChemSpider 2D Image | 2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-(2-thienylmethyl)acetamide | C16H16BrN5OS2

2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-(2-thienylmethyl)acetamide

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID21977270

More details:

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

2-{[4-Amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-(2-thienylmethyl)acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-méthyl-N-(2-thiénylméthyl)acétamide [French] [ACD/IUPAC Name]
2-{[4-Amino-5-(2-bromphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-(2-thienylmethyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-methyl-N-(2-thienylmethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 653.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.3±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.60
ACD/KOC (pH 5.5): 977.54
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.60
ACD/KOC (pH 7.4): 977.56
Polar Surface Area: 131 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 270.4±7.0 cm3

Click to predict properties on the Chemicalize site


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