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

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

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID21654262

More details:

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

1-(4-Benzyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethyl-1-propanamin [German] [ACD/IUPAC Name]
1-(4-Benzyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethyl-1-propanamine [ACD/IUPAC Name]
1-(4-Benzyl-5-{[(1-phényl-1H-tétrazol-5-yl)méthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N,N-diméthyl-1-propanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, α-ethyl-N,N-dimethyl-4-(phenylmethyl)-5-[[(1-phenyl-1H-tetrazol-5-yl)methyl]thio]- [ACD/Index 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: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 4.84
ACD/KOC (pH 5.5): 39.21
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 117.48
ACD/KOC (pH 7.4): 951.47
Polar Surface Area: 103 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 340.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement