ChemSpider 2D Image | N-{[2-(3-Methylbenzyl)-5-phenyl-2H-1,2,3-triazol-4-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine | C22H26N8S

N-{[2-(3-Methylbenzyl)-5-phenyl-2H-1,2,3-triazol-4-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID79735305

More details:

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

2H-1,2,3-Triazole-4-methanamine, 2-[(3-methylphenyl)methyl]-N-[3-[(1-methyl-1H-tetrazol-5-yl)thio]propyl]-5-phenyl- [ACD/Index Name]
N-{[2-(3-Methylbenzyl)-5-phenyl-2H-1,2,3-triazol-4-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamin [German] [ACD/IUPAC Name]
N-{[2-(3-Methylbenzyl)-5-phenyl-2H-1,2,3-triazol-4-yl]methyl}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine [ACD/IUPAC Name]
N-{[2-(3-Méthylbenzyl)-5-phényl-2H-1,2,3-triazol-4-yl]méthyl}-3-[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.8±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 11.23
ACD/KOC (pH 5.5): 87.92
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 158.40
ACD/KOC (pH 7.4): 1239.68
Polar Surface Area: 112 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 335.0±7.0 cm3

Click to predict properties on the Chemicalize site


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