ChemSpider 2D Image | Ethyl 4-{3-[(5-chloro-7-methoxy-1-benzofuran-2-yl)carbonyl]-4-hydroxy-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl}-1-piperidinecarboxylate | C27H26ClN3O7

Ethyl 4-{3-[(5-chloro-7-methoxy-1-benzofuran-2-yl)carbonyl]-4-hydroxy-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl}-1-piperidinecarboxylate

  • Molecular FormulaC27H26ClN3O7
  • Average mass539.964 Da
  • Monoisotopic mass539.145935 Da
  • ChemSpider ID34798427

More details:

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

1-Piperidinecarboxylic acid, 4-[3-[(5-chloro-7-methoxy-2-benzofuranyl)carbonyl]-2,5-dihydro-4-hydroxy-5-oxo-2-(2-pyridinyl)-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
4-{3-[(5-Chloro-7-méthoxy-1-benzofuran-2-yl)carbonyl]-4-hydroxy-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(5-chloro-7-methoxy-1-benzofuran-2-yl)carbonyl]-4-hydroxy-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(5-chlor-7-methoxy-1-benzofuran-2-yl)carbonyl]-4-hydroxy-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-1-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 37.70
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 375.1±3.0 cm3

Click to predict properties on the Chemicalize site


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