ChemSpider 2D Image | 6-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)nicotinamide | C26H25N3O3

6-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)nicotinamide

  • Molecular FormulaC26H25N3O3
  • Average mass427.495 Da
  • Monoisotopic mass427.189606 Da
  • ChemSpider ID82956396

More details:






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

3-Pyridinecarboxamide, 6-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)- [ACD/Index Name]
6-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)nicotinamid [German] [ACD/IUPAC Name]
6-(1-Acryloyl-4-piperidinyl)-2-(4-phenoxyphenyl)nicotinamide [ACD/IUPAC Name]
6-(1-Acryloyl-4-pipéridinyl)-2-(4-phénoxyphényl)nicotinamide [French] [ACD/IUPAC Name]
1655504-04-3 [RN]
Orelabrutinib

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.71
ACD/KOC (pH 5.5): 976.69
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.32
ACD/KOC (pH 7.4): 982.32
Polar Surface Area: 86 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

Click to predict properties on the Chemicalize site






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