ChemSpider 2D Image | 2-[3-(4-Ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-N,N-diethylethanaminium | C32H37N2O5

2-[3-(4-Ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-N,N-diethylethanaminium

  • Molecular FormulaC32H37N2O5
  • Average mass529.646 Da
  • Monoisotopic mass529.269714 Da
  • ChemSpider ID24813136

  • Charge - Charge

More details:

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

2-[3-(4-Ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-N,N-diethylethanaminium [ACD/IUPAC Name]
2-[3-(4-Ethoxy-2-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-N,N-diethylethanaminium [German] [ACD/IUPAC Name]
2-[3-(4-Éthoxy-2-méthylbenzoyl)-4-hydroxy-5-oxo-2-(3-phénoxyphényl)-2,5-dihydro-1H-pyrrol-1-yl]-N,N-diéthyléthanaminium [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-4-(4-ethoxy-2-methylbenzoyl)-1,5-dihydro-3-hydroxy-5-(3-phenoxyphenyl)-, conjugate monoacid [ACD/Index Name]
ZINC09994168

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

Density:
Boiling Point: 699.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 16.16
ACD/KOC (pH 5.5): 48.71
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 17.27
ACD/KOC (pH 7.4): 52.04
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

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