ChemSpider 2D Image | 5-[1-(3-Fluoro-4-methoxybenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C21H21FN4O3

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

  • Molecular FormulaC21H21FN4O3
  • Average mass396.415 Da
  • Monoisotopic mass396.159760 Da
  • ChemSpider ID34982618

More details:






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

3H-1,2,4-Triazol-3-one, 5-[1-(3-fluoro-4-methoxybenzoyl)-4-piperidinyl]-2,4-dihydro-4-phenyl- [ACD/Index Name]
5-[1-(3-Fluor-4-methoxybenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[1-(3-Fluoro-4-methoxybenzoyl)-4-piperidinyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[1-(3-Fluoro-4-méthoxybenzoyl)-4-pipéridinyl]-4-phényl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
[1775412-11-7]
1775412-11-7 [RN]
3-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
5-[1-(3-fluoro-4-methoxybenzoyl)-4-piperidyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
MFCD28805884

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 105.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.10
ACD/KOC (pH 5.5): 228.98
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 17.01
Polar Surface Area: 74 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 290.5±7.0 cm3

Click to predict properties on the Chemicalize site






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