ChemSpider 2D Image | 4-(3,4-Dimethoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C28H31N3O8

4-(3,4-Dimethoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC28H31N3O8
  • Average mass537.561 Da
  • Monoisotopic mass537.211121 Da
  • ChemSpider ID28635617

More details:

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

2H-Pyrrol-2-one, 4-(3,4-dimethoxybenzoyl)-1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4-(3,4-Dimethoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3,4-Diméthoxybenzoyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-[(3,4-dimethoxyphenyl)carbonyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 414.8±7.0 cm3

Click to predict properties on the Chemicalize site


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