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

8-[(2-Ethylphenyl)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 ID26316379

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-ethylphenyl)thio]-2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
8-[(2-Ethylphenyl)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-Éthylphényl)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-Ethylphenyl)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]
1251550-47-6 [RN]
7-cyclopropyl-6-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thio}[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
8-((2-ethylphenyl)thio)-2-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
8-[(2-ethylphenyl)sulfanyl]-2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516193/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.89
ACD/KOC (pH 5.5): 1288.56
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.30
ACD/KOC (pH 7.4): 1300.23
Polar Surface Area: 97 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 355.7±7.0 cm3

Click to predict properties on the Chemicalize site


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