ChemSpider 2D Image | 4-[4-({[2'-(Dimethylamino)-5'-(trifluoromethyl)-3-biphenylyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide | C29H26F3N5O3

4-[4-({[2'-(Dimethylamino)-5'-(trifluoromethyl)-3-biphenylyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID9795671

More details:

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

2-Pyridinecarboxamide, 4-[4-[[[[2'-(dimethylamino)-5'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]amino]carbonyl]amino]phenoxy]-N-methyl- [ACD/Index Name]
4-[4-({[2'-(Dimethylamino)-5'-(trifluormethyl)-3-biphenylyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridincarboxamid [German] [ACD/IUPAC Name]
4-[4-({[2'-(Dimethylamino)-5'-(trifluoromethyl)-3-biphenylyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide [ACD/IUPAC Name]
4-[4-({[2'-(Diméthylamino)-5'-(trifluorométhyl)-3-biphénylyl]carbamoyl}amino)phénoxy]-N-méthyl-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.6±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4388.12
ACD/KOC (pH 5.5): 14061.90
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4411.96
ACD/KOC (pH 7.4): 14138.33
Polar Surface Area: 96 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 410.8±3.0 cm3

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