ChemSpider 2D Image | Methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methyl-4-quinolinyl)methoxy]benzyl}cyclopropanecarboxylate | C24H24N2O5

Methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methyl-4-quinolinyl)methoxy]benzyl}cyclopropanecarboxylate

  • Molecular FormulaC24H24N2O5
  • Average mass420.458 Da
  • Monoisotopic mass420.168518 Da
  • ChemSpider ID23325936

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-(Hydroxycarbamoyl)-1-{4-[(2-méthyl-4-quinoléinyl)méthoxy]benzyl}cyclopropanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[(hydroxyamino)carbonyl]-1-[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]methyl]-, methyl ester, (1R,2S)- [ACD/Index Name]
Methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methyl-4-quinolinyl)methoxy]benzyl}cyclopropanecarboxylate [ACD/IUPAC Name]
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
Methyl-(1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methyl-4-chinolinyl)methoxy]benzyl}cyclopropancarboxylat [German] [ACD/IUPAC Name]
2-[3-(2-methylquinolin-4-yl)methoxyphenyl]-2-trans-carbomethoxylcyclopropane hydroxyamic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL410462/
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1-carboxylate

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

550 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 18.74
ACD/KOC (pH 5.5): 233.17
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.61
ACD/KOC (pH 7.4): 455.41
Polar Surface Area: 98 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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