ChemSpider 2D Image | N-[2-(Cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-(4-fluorophenyl)-2-thiophenecarboxamide | C28H26FN3O2S

N-[2-(Cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-(4-fluorophenyl)-2-thiophenecarboxamide

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID22519755

More details:

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

6-Quinolineacetamide, N-cyclohexyl-α-[(4-fluorophenyl)(2-thienylcarbonyl)amino]- [ACD/Index Name]
N-[1-(6-Chinolinyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(4-fluorphenyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-2-oxo-1-(6-quinoléinyl)éthyl]-N-(4-fluorophényl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[2-(Cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-(4-fluorophenyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-CYCLOHEXYL-2-[N-(4-FLUOROPHENYL)-1-(THIOPHEN-2-YL)FORMAMIDO]-2-(QUINOLIN-6-YL)ACETAMIDE
N-CYCLOHEXYL-2-[N-(4-FLUOROPHENYL)-1-THIOPHEN-2-YLFORMAMIDO]-2-(QUINOLIN-6-YL)ACETAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1454.41
ACD/KOC (pH 5.5): 6240.88
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1578.03
ACD/KOC (pH 7.4): 6771.34
Polar Surface Area: 91 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 366.7±5.0 cm3

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