ChemSpider 2D Image | N-(6-Bromo-1,3-benzothiazol-2-yl)-2-{[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide | C16H11BrN6OS2

N-(6-Bromo-1,3-benzothiazol-2-yl)-2-{[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide

  • Molecular FormulaC16H11BrN6OS2
  • Average mass447.332 Da
  • Monoisotopic mass445.961914 Da
  • ChemSpider ID62433454

More details:

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

Acetamide, N-(6-bromo-2-benzothiazolyl)-2-[[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]thio]- [ACD/Index Name]
N-(6-Brom-1,3-benzothiazol-2-yl)-2-{[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(6-Bromo-1,3-benzothiazol-2-yl)-2-{[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(6-Bromo-1,3-benzothiazol-2-yl)-2-{[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acétamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.795
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.73
ACD/KOC (pH 5.5): 1516.21
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 113.06
ACD/KOC (pH 7.4): 875.80
Polar Surface Area: 150 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 107.5±5.0 dyne/cm
Molar Volume: 248.4±5.0 cm3

Click to predict properties on the Chemicalize site


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