ChemSpider 2D Image | 6-(3-Chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]carbamoyl}-4-quinolinecarboxylic acid | C27H21ClN2O6

6-(3-Chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]carbamoyl}-4-quinolinecarboxylic acid

  • Molecular FormulaC27H21ClN2O6
  • Average mass504.918 Da
  • Monoisotopic mass504.108826 Da
  • ChemSpider ID13179199

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Quinolinecarboxylic acid, 6-(3-chlorophenyl)-2-[[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxoethyl]amino]carbonyl]- [ACD/Index Name]
6-(3-Chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]carbamoyl}-4-quinolinecarboxylic acid [ACD/IUPAC Name]
6-(3-Chlorophenyl)-2-{[(2s)-3-(4-Hydroxyphenyl)-1-Methoxy-1-Oxopropan-2-Yl]carbamoyl}quinoline-4-Carboxylic Acid
6-(3-Chlorphenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]carbamoyl}-4-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 6-(3-chlorophényl)-2-{[(2S)-3-(4-hydroxyphényl)-1-méthoxy-1-oxo-2-propanyl]carbamoyl}-4-quinoléinecarboxylique [French] [ACD/IUPAC Name]
2KD

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 134.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 12.18
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 7.44
Polar Surface Area: 126 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 359.4±3.0 cm3

Click to predict properties on the Chemicalize site


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