ChemSpider 2D Image | 3-[(3-Chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid | C28H20ClNO6

3-[(3-Chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid

  • Molecular FormulaC28H20ClNO6
  • Average mass501.914 Da
  • Monoisotopic mass501.097900 Da
  • ChemSpider ID30811098

More details:

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

3-[(3-Chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid [ACD/IUPAC Name]
3-[(3-Chlorphenyl)ethinyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carbonsäure [German] [ACD/IUPAC Name]
5-Benzofurancarboxylic acid, 3-[2-(3-chlorophenyl)ethynyl]-2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]-6-hydroxy- [ACD/Index Name]
Acide 3-[(3-chlorophényl)éthynyl]-2-{4-[2-(cyclopropylamino)-2-oxoéthoxy]phényl}-6-hydroxy-1-benzofurane-5-carboxylique [French] [ACD/IUPAC Name]
1404436-51-6 [RN]
3-[2-(3-chlorophenyl)ethynyl]-2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]-6-hydroxy-1-benzofuran-5-carboxylic acid
LYP-IN-1
N75

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 24.51
ACD/KOC (pH 5.5): 49.42
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 16.06
ACD/KOC (pH 7.4): 32.38
Polar Surface Area: 109 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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