ChemSpider 2D Image | 6-(4-Methoxybenzyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C16H13N5OS

6-(4-Methoxybenzyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC16H13N5OS
  • Average mass323.372 Da
  • Monoisotopic mass323.084076 Da
  • ChemSpider ID21629491

More details:






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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-methoxyphenyl)methyl]-3-(2-pyridinyl)- [ACD/Index Name]
6-(4-Methoxybenzyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(4-Methoxybenzyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(4-Méthoxybenzyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
2-{6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine
6-(4-methoxybenzyl)-3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-methoxybenzyl)-3-pyridin-2-yl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-methoxyphenyl)methyl]-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
929823-63-2 [RN]
AGN-PC-01KL6M
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.37
ACD/KOC (pH 5.5): 867.50
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.37
ACD/KOC (pH 7.4): 867.50
Polar Surface Area: 93 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 225.9±7.0 cm3

Click to predict properties on the Chemicalize site






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