ChemSpider 2D Image | 8-[(2,4-Dimethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one | C25H25FN6O2S

8-[(2,4-Dimethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one

  • Molecular FormulaC25H25FN6O2S
  • Average mass492.568 Da
  • Monoisotopic mass492.174377 Da
  • ChemSpider ID26028894

More details:

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

1,2,4-Triazolo[4,3-a]pyrazin-3(2H)-one, 8-[(2,4-dimethylphenyl)thio]-2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
8-[(2,4-Dimethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
8-[(2,4-Diméthylphényl)sulfanyl]-2-{2-[4-(4-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
8-[(2,4-Dimethylphenyl)sulfanyl]-2-{2-[4-(4-fluorphenyl)-1-piperazinyl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
1251680-07-5 [RN]
2-(3-Cyclopentyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide [ACD/IUPAC Name]
8-((2,4-dimethylphenyl)thio)-2-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
8-(2,4-dimethylphenyl)sulfanyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
8-(2,4-Dimethyl-phenylsulfanyl)-2-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
8-[(2,4-dimethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 672.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 360.2±34.3 °C
    Index of Refraction: 1.692
    Molar Refractivity: 136.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 136.68
    ACD/KOC (pH 5.5): 1172.40
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 138.10
    ACD/KOC (pH 7.4): 1184.49
    Polar Surface Area: 97 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 55.3±7.0 dyne/cm
    Molar Volume: 354.8±7.0 cm3

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