ChemSpider 2D Image | 3-Hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C29H29N3O8

3-Hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H29N3O8
  • Average mass547.556 Da
  • Monoisotopic mass547.195435 Da
  • ChemSpider ID4049795

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-methoxy-2-benzofuranyl)carbonyl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
3-Hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[(7-méthoxy-1-benzofuran-2-yl)carbonyl]-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [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: 774.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

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