ChemSpider 2D Image | 1-[(1-Allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide | C27H32N4O

1-[(1-Allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide

  • Molecular FormulaC27H32N4O
  • Average mass428.569 Da
  • Monoisotopic mass428.257599 Da
  • ChemSpider ID22227032

More details:

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

1-[(1-Allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[(1-Allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[(1-Allyl-3-méthyl-1H-pyrazol-4-yl)méthyl]-N-(3'-méthyl-4-biphénylyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, N-(3'-methyl[1,1'-biphenyl]-4-yl)-1-[[3-methyl-1-(2-propen-1-yl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 131.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 18.77
ACD/KOC (pH 5.5): 72.22
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 856.84
ACD/KOC (pH 7.4): 3296.52
Polar Surface Area: 50 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 378.5±7.0 cm3

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