ChemSpider 2D Image | 8-Hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]-2(1H)-quinolinone | C23H28N2O5S

8-Hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]-2(1H)-quinolinone

  • Molecular FormulaC23H28N2O5S
  • Average mass444.544 Da
  • Monoisotopic mass444.171906 Da
  • ChemSpider ID25060684

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 8-hydroxy-5-[(1R)-1-hydroxy-2-[[2-[4-(3-mercaptopropoxy)-3-methoxyphenyl]ethyl]amino]ethyl]- [ACD/Index Name]
8-Hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]-2(1H)-chinolinon [German] [ACD/IUPAC Name]
8-Hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-méthoxy-4-(3-sulfanylpropoxy)phényl]éthyl}amino)éthyl]-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
8-Hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]-2(1H)-quinolinone [ACD/IUPAC Name]
8-Hydroxy-5-[(1r)-1-Hydroxy-2-({2-[3-Methoxy-4-(3-Sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1h)-One
ERC

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 18.94
Polar Surface Area: 139 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 349.2±3.0 cm3

Click to predict properties on the Chemicalize site


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