ChemSpider 2D Image | 6-(5-Bromo-1-naphthyl)-3-(4-chlorobenzyl)hexahydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C20H18BrClN4S

6-(5-Bromo-1-naphthyl)-3-(4-chlorobenzyl)hexahydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC20H18BrClN4S
  • Average mass461.806 Da
  • Monoisotopic mass460.012390 Da
  • ChemSpider ID109502151

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-(5-bromo-1-naphthalenyl)-3-[(4-chlorophenyl)methyl]hexahydro- [ACD/Index Name]
6-(5-Brom-1-naphthyl)-3-(4-chlorbenzyl)hexahydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(5-Bromo-1-naphthyl)-3-(4-chlorobenzyl)hexahydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(5-Bromo-1-naphtyl)-3-(4-chlorobenzyl)hexahydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC 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: 618.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.7±34.3 °C
Index of Refraction: 1.791
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1622.63
ACD/KOC (pH 5.5): 6200.40
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.81
ACD/KOC (pH 7.4): 9024.96
Polar Surface Area: 65 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 280.3±5.0 cm3

Click to predict properties on the Chemicalize site


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