ChemSpider 2D Image | 3-(3-{[Benzyl(methyl)amino]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylaniline | C20H22N6S

3-(3-{[Benzyl(methyl)amino]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylaniline

  • Molecular FormulaC20H22N6S
  • Average mass378.494 Da
  • Monoisotopic mass378.162659 Da
  • ChemSpider ID26033944

More details:

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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole-3-methanamine, 6-[3-(dimethylamino)phenyl]-N-methyl-N-(phenylmethyl)- [ACD/Index Name]
3-(3-{[Benzyl(methyl)amino]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylanilin [German] [ACD/IUPAC Name]
3-(3-{[Benzyl(methyl)amino]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylaniline [ACD/IUPAC Name]
3-(3-{[Benzyl(méthyl)amino]méthyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-diméthylaniline [French] [ACD/IUPAC Name]
(3-{3-[(Benzyl-methyl-amino)-methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-phenyl)-dimethyl-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 114.16
ACD/KOC (pH 5.5): 724.04
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.49
ACD/KOC (pH 7.4): 2457.60
Polar Surface Area: 78 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 298.8±7.0 cm3

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