ChemSpider 2D Image | 7-(3,4-Dimethylphenyl)-3-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one | C25H25FN6O2S

7-(3,4-Dimethylphenyl)-3-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

  • Molecular FormulaC25H25FN6O2S
  • Average mass492.568 Da
  • Monoisotopic mass492.174377 Da
  • ChemSpider ID28405538

More details:

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

1,2,4-Triazolo[4,3-a]pyrazin-8(7H)-one, 7-(3,4-dimethylphenyl)-3-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]- [ACD/Index Name]
7-(3,4-Dimethylphenyl)-3-({2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one [ACD/IUPAC Name]
7-(3,4-Diméthylphényl)-3-({2-[4-(4-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one [French] [ACD/IUPAC Name]
7-(3,4-Dimethylphenyl)-3-({2-[4-(4-fluorphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-on [German] [ACD/IUPAC Name]
1223841-69-7 [RN]
7-(3,4-dimethylphenyl)-3-((2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)thio)-[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(3,4-dimethylphenyl)-3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
7-(3,4-dimethylphenyl)-3-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}thio)[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 782.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.8±35.7 °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: 4.04
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.15
ACD/KOC (pH 5.5): 844.46
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.34
ACD/KOC (pH 7.4): 846.32
Polar Surface Area: 100 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 354.8±7.0 cm3

Click to predict properties on the Chemicalize site


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