ChemSpider 2D Image | [4-({2-[3-(4-Biphenylyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenoxy}methyl)phenyl](4-methyl-1-piperazinyl)methanone | C34H33N5O2

[4-({2-[3-(4-Biphenylyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenoxy}methyl)phenyl](4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC34H33N5O2
  • Average mass543.658 Da
  • Monoisotopic mass543.263428 Da
  • ChemSpider ID8362785

More details:

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

[4-({2-[3-(4-Biphenylyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenoxy}methyl)phenyl](4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[4-({2-[3-(4-Biphenylyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenoxy}methyl)phenyl](4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
[4-({2-[3-(4-Biphénylyl)-5-méthyl-4H-1,2,4-triazol-4-yl]phénoxy}méthyl)phényl](4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
[4-({2-[3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl]phenoxy}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Methanone, [4-[[2-(3-[1,1'-biphenyl]-4-yl-5-methyl-4H-1,2,4-triazol-4-yl)phenoxy]methyl]phenyl](4-methyl-1-piperazinyl)- [ACD/Index Name]
{4-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxymethyl]-phenyl}-(4-methyl-piperazin-1-yl)-methanone
CHEMBL86577

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.3±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 163.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 275.42
ACD/KOC (pH 5.5): 865.55
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 3920.36
ACD/KOC (pH 7.4): 12320.17
Polar Surface Area: 63 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 451.7±7.0 cm3

Click to predict properties on the Chemicalize site


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