ChemSpider 2D Image | 2-{[4-Phenyl-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone | C23H28N8OS

2-{[4-Phenyl-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID33763904

More details:

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

2-{[4-Phenyl-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-{[4-Phenyl-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-{[4-Phényl-5-(1-pipéridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyrazinyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[4-phenyl-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrazinyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.8±35.7 °C
Index of Refraction: 1.725
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 54.68
ACD/KOC (pH 5.5): 588.46
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.04
ACD/KOC (pH 7.4): 667.77
Polar Surface Area: 109 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

Click to predict properties on the Chemicalize site


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