ChemSpider 2D Image | (4-{[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-piperazinyl)[4-(2-methyl-2-propanyl)phenyl]methanone | C25H31N5O

(4-{[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-piperazinyl)[4-(2-methyl-2-propanyl)phenyl]methanone

  • Molecular FormulaC25H31N5O
  • Average mass417.547 Da
  • Monoisotopic mass417.252869 Da
  • ChemSpider ID30678321

More details:

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

(4-{[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-piperazinyl)[4-(2-methyl-2-propanyl)phenyl]methanon [German] [ACD/IUPAC Name]
(4-{[4-(2-Methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1-piperazinyl)[4-(2-methyl-2-propanyl)phenyl]methanone [ACD/IUPAC Name]
(4-{[4-(2-Méthylphényl)-4H-1,2,4-triazol-3-yl]méthyl}-1-pipérazinyl)[4-(2-méthyl-2-propanyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1,1-dimethylethyl)phenyl][4-[[4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-1-piperazinyl]- [ACD/Index Name]
(4-(tert-butyl)phenyl)(4-((4-(o-tolyl)-4H-1,2,4-triazol-3-yl)methyl)piperazin-1-yl)methanone
1-(4-t-Butylbenzoyl)-4-{[4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}piperazine
1-(4-tert-butylbenzoyl)-4-{[4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}piperazine
1396631-92-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 607.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.1±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 402.82
ACD/KOC (pH 5.5): 2539.70
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 407.88
ACD/KOC (pH 7.4): 2571.58
Polar Surface Area: 54 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 361.7±7.0 cm3

Click to predict properties on the Chemicalize site


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