ChemSpider 2D Image | 5-[(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)sulfanyl]-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C18H22F3N5O2S

5-[(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)sulfanyl]-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC18H22F3N5O2S
  • Average mass429.460 Da
  • Monoisotopic mass429.144623 Da
  • ChemSpider ID24078738

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-4-propyl- [ACD/Index Name]
5-[(2-Oxo-2-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}ethyl)sulfanyl]-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[(2-Oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)sulfanyl]-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[(2-Oxo-2-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}éthyl)sulfanyl]-4-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC 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: 640.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 341.0±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 94.96
ACD/KOC (pH 5.5): 896.03
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 39.67
ACD/KOC (pH 7.4): 374.31
Polar Surface Area: 100 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 300.7±7.0 cm3

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