ChemSpider 2D Image | 5-[1-(3,5-Difluorobenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C20H18F2N4O2

5-[1-(3,5-Difluorobenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC20H18F2N4O2
  • Average mass384.379 Da
  • Monoisotopic mass384.139771 Da
  • ChemSpider ID35298381

More details:

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

3H-1,2,4-Triazol-3-one, 5-[1-(3,5-difluorobenzoyl)-4-piperidinyl]-2,4-dihydro-4-phenyl- [ACD/Index Name]
5-[1-(3,5-Difluorbenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[1-(3,5-Difluorobenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[1-(3,5-Difluorobenzoyl)-4-pipéridinyl]-4-phényl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
5-[1-(3,5-difluorobenzoyl)-4-piperidyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 100.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.49
ACD/KOC (pH 5.5): 176.26
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.94
Polar Surface Area: 65 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

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