ChemSpider 2D Image | 8-Bromo-1-(~2~H_3_)methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | C16H9D3BrN5

8-Bromo-1-(2H3)methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

  • Molecular FormulaC16H9D3BrN5
  • Average mass357.223 Da
  • Monoisotopic mass356.046417 Da
  • ChemSpider ID58794632
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-bromo-1-(methyl-d3)-6-(2-pyridinyl)- [ACD/Index Name]
8-Brom-1-(2H3)methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin [German] [ACD/IUPAC Name]
8-Bromo-1-(2H3)methyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine [ACD/IUPAC Name]
8-Bromo-1-(2H3)méthyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 544.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.0±32.9 °C
Index of Refraction: 1.762
Molar Refractivity: 89.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.86
ACD/KOC (pH 5.5): 251.52
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.88
ACD/KOC (pH 7.4): 251.92
Polar Surface Area: 56 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 217.5±7.0 cm3

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