ChemSpider 2D Image | 5-[1-(3,4-Difluorobenzoyl)-4-piperidinyl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C21H20F2N4O2

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

  • Molecular FormulaC21H20F2N4O2
  • Average mass398.406 Da
  • Monoisotopic mass398.155426 Da
  • ChemSpider ID34982625

More details:

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

3H-1,2,4-Triazol-3-one, 5-[1-(3,4-difluorobenzoyl)-4-piperidinyl]-2,4-dihydro-4-(4-methylphenyl)- [ACD/Index Name]
5-[1-(3,4-Difluorbenzoyl)-4-piperidinyl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-[1-(3,4-Difluorobenzoyl)-4-piperidinyl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-[1-(3,4-Difluorobenzoyl)-4-pipéridinyl]-4-(4-méthylphényl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
[1775412-31-1] [RN]
1775412-31-1 [RN]
3-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
5-[1-(3,4-difluorobenzoyl)-4-piperidyl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
BS-7405
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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: 1.648
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.06
ACD/KOC (pH 5.5): 242.02
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 20.88
Polar Surface Area: 65 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

Click to predict properties on the Chemicalize site


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