ChemSpider 2D Image | 4-(4-Methylphenyl)-5-{1-[4-(2-methyl-2-propanyl)benzoyl]-4-piperidinyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | C25H30N4O2

4-(4-Methylphenyl)-5-{1-[4-(2-methyl-2-propanyl)benzoyl]-4-piperidinyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC25H30N4O2
  • Average mass418.531 Da
  • Monoisotopic mass418.236877 Da
  • ChemSpider ID34982736

More details:

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

3H-1,2,4-Triazol-3-one, 5-[1-[4-(1,1-dimethylethyl)benzoyl]-4-piperidinyl]-2,4-dihydro-4-(4-methylphenyl)- [ACD/Index Name]
4-(4-Methylphenyl)-5-{1-[4-(2-methyl-2-propanyl)benzoyl]-4-piperidinyl}-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-(4-Methylphenyl)-5-{1-[4-(2-methyl-2-propanyl)benzoyl]-4-piperidinyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-(4-Méthylphényl)-5-{1-[4-(2-méthyl-2-propanyl)benzoyl]-4-pipéridinyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
[1775547-32-4] [RN]
1775547-32-4 [RN]
3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
5-[1-(4-t-Butylbenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[4-(tert-butyl)benzoyl]-4-piperidyl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 85.33
ACD/KOC (pH 5.5): 785.07
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 5.87
ACD/KOC (pH 7.4): 54.03
Polar Surface Area: 65 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 348.1±7.0 cm3

Click to predict properties on the Chemicalize site


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