Found 3 results

Search term: DAOLHFKLYFASDC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-({(1R,3S)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}imino)-1,4-dihydro-3-quinolinyl]ethanone | C29H34ClFN4O2

1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-({(1R,3S)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}imino)-1,4-dihydro-3-quinolinyl]ethanone

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID98652301

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[6-(3-Chlor-5-fluor-4-hydroxyphenyl)-4-({(1R,3S)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}imino)-1,4-dihydro-3-chinolinyl]ethanon [German] [ACD/IUPAC Name]
1-[6-(3-Chloro-5-fluoro-4-hydroxyphényl)-4-({(1R,3S)-3-[(4-méthyl-1-pipérazinyl)méthyl]cyclohexyl}imino)-1,4-dihydro-3-quinoléinyl]éthanone [French] [ACD/IUPAC Name]
1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-({(1R,3S)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}imino)-1,4-dihydro-3-quinolinyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,4-dihydro-4-[[(1R,3S)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl]imino]-3-quinolinyl]- [ACD/Index 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: 631.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.16
Polar Surface Area: 68 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 392.3±7.0 cm3

Click to predict properties on the Chemicalize site


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