Found 250 results

Search term: MF = 'C_{29}H_{34}ClFN_{4}O_{2}'
ChemSpider 2D Image | 1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-({(1S,3R)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}amino)-3-quinolinyl]ethanone | C29H34ClFN4O2

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

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID58860010

  • 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-({(1S,3R)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}amino)-3-chinolinyl]ethanon [German] [ACD/IUPAC Name]
1-[6-(3-Chloro-5-fluoro-4-hydroxyphényl)-4-({(1S,3R)-3-[(4-méthyl-1-pipérazinyl)méthyl]cyclohexyl}amino)-3-quinoléinyl]éthanone [French] [ACD/IUPAC Name]
1-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-4-({(1S,3R)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl}amino)-3-quinolinyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[(1S,3R)-3-[(4-methyl-1-piperazinyl)methyl]cyclohexyl]amino]-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: 651.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 347.7±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 25.06
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 108.34
ACD/KOC (pH 7.4): 333.59
Polar Surface Area: 69 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

Click to predict properties on the Chemicalize site


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