ChemSpider 2D Image | 5-(4-Butoxy-3-methoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-{4-[(2-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one | C36H39N3O6

5-(4-Butoxy-3-methoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-{4-[(2-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID11893235

More details:

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

2H-Pyrrol-2-one, 5-(4-butoxy-3-methoxyphenyl)-1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-[4-[(2-methylphenyl)methoxy]benzoyl]- [ACD/Index Name]
5-(4-Butoxy-3-methoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-{4-[(2-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(4-Butoxy-3-methoxyphenyl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-{4-[(2-methylbenzyl)oxy]benzoyl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(4-Butoxy-3-méthoxyphényl)-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-{4-[(2-méthylbenzyl)oxy]benzoyl}-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: 1.2±0.1 g/cm3
Boiling Point: 824.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.2±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 172.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 11.35
ACD/KOC (pH 5.5): 46.32
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 15.44
Polar Surface Area: 103 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 503.4±7.0 cm3

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