ChemSpider 2D Image | 2-[4-(4-Cyanophenyl)-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}phenoxy]-N-Methylacetamide | C26H27N5O2

2-[4-(4-Cyanophenyl)-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}phenoxy]-N-Methylacetamide

  • Molecular FormulaC26H27N5O2
  • Average mass441.525 Da
  • Monoisotopic mass441.216461 Da
  • ChemSpider ID35034741

More details:

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

2-[(4'-Cyan-2-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-4-biphenylyl)oxy]-N-methylacetamid [German] [ACD/IUPAC Name]
2-[(4'-Cyano-2-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-4-biphenylyl)oxy]-N-methylacetamide [ACD/IUPAC Name]
2-[(4'-Cyano-2-{[4-(2-pyridinyl)-1-pipérazinyl]méthyl}-4-biphénylyl)oxy]-N-méthylacétamide [French] [ACD/IUPAC Name]
2-[4-(4-Cyanophenyl)-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}phenoxy]-N-Methylacetamide
Acetamide, 2-[[4'-cyano-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl][1,1'-biphenyl]-4-yl]oxy]-N-methyl- [ACD/Index Name]
ZVZ [WLN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 385.0±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 126.85
Polar Surface Area: 81 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 345.7±5.0 cm3

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