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Search term: GZKUUQRZEMFLII (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(7-Chloro-4-quinolinyl)-N'-{[5-(4-fluorophenyl)-2-thienyl]methyl}-1,2-ethanediamine | C22H19ClFN3S

N-(7-Chloro-4-quinolinyl)-N'-{[5-(4-fluorophenyl)-2-thienyl]methyl}-1,2-ethanediamine

  • Molecular FormulaC22H19ClFN3S
  • Average mass411.923 Da
  • Monoisotopic mass411.097229 Da
  • ChemSpider ID58968920

More details:

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

1,2-Ethanediamine, N1-(7-chloro-4-quinolinyl)-N2-[[5-(4-fluorophenyl)-2-thienyl]methyl]- [ACD/Index Name]
N-(7-Chlor-4-chinolinyl)-N'-{[5-(4-fluorphenyl)-2-thienyl]methyl}-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-(7-Chloro-4-quinoléinyl)-N'-{[5-(4-fluorophényl)-2-thiényl]méthyl}-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-(7-Chloro-4-quinolinyl)-N'-{[5-(4-fluorophenyl)-2-thienyl]methyl}-1,2-ethanediamine [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: 587.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 20.32
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1697.96
ACD/KOC (pH 7.4): 4851.72
Polar Surface Area: 65 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

Click to predict properties on the Chemicalize site


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