ChemSpider 2D Image | Methyl 1-(4-{[8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino}benzoyl)-4-piperidinecarboxylate | C29H26F3N5O3

Methyl 1-(4-{[8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino}benzoyl)-4-piperidinecarboxylate

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID358729

More details:

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

1-(4-{[8-Amino-3-phényl-6-(trifluorométhyl)-2-quinoxalinyl]amino}benzoyl)-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-[[8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]benzoyl]-, methyl ester [ACD/Index Name]
Methyl 1-(4-{[8-amino-3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino}benzoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-(4-{[8-amino-3-phenyl-6-(trifluormethyl)-2-chinoxalinyl]amino}benzoyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
Methyl N-[4-(3-phenyl-6-trifluoromethyl-8-aminoquinoxalin-2-yl)amin obenzoyl]-N-piperidine-4-carboxilate

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

NSC722171 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.3±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3489.37
ACD/KOC (pH 5.5): 11953.16
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3489.63
ACD/KOC (pH 7.4): 11954.06
Polar Surface Area: 110 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 399.8±3.0 cm3

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