ChemSpider 2D Image | 5-{1-[(3-Fluorophenyl)acetyl]-4-piperidinyl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C23H25FN4O2

5-{1-[(3-Fluorophenyl)acetyl]-4-piperidinyl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC23H25FN4O2
  • Average mass408.469 Da
  • Monoisotopic mass408.196167 Da
  • ChemSpider ID34982680

More details:

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

3H-1,2,4-Triazol-3-one, 5-[1-[2-(3-fluorophenyl)acetyl]-4-piperidinyl]-2,4-dihydro-4-[(4-methylphenyl)methyl]- [ACD/Index Name]
5-{1-[(3-Fluorophenyl)acetyl]-4-piperidinyl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-{1-[(3-Fluorphenyl)acetyl]-4-piperidinyl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-{1-[2-(3-Fluorophényl)acétyl]-4-pipéridinyl}-4-(4-méthylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
[1775384-85-4] [RN]
1775384-85-4 [RN]
3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-4-[(4-methylphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
5-{1-[(3-fluorophenyl)acetyl]piperidin-4-yl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[2-(3-fluorophenyl)acetyl]-4-piperidyl}-4-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
BS-7687
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.24
ACD/KOC (pH 5.5): 370.48
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.36
ACD/KOC (pH 7.4): 358.59
Polar Surface Area: 65 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 316.1±7.0 cm3

Click to predict properties on the Chemicalize site


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