ChemSpider 2D Image | MFCD03288349 | C34H40N2O5

MFCD03288349

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID11888251

More details:

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

1-[2-(Diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Diethylamino)ethyl]-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-3-hydroxy-4-(4-isobutoxy-3-méthylbenzoyl)-5-(3-phénoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(3-phenoxyphenyl)- [ACD/Index Name]
MFCD03288349
1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-isobutoxy-3-methylbenzoyl)-5-(3-phenoxyphenyl)-1H-pyrrol-2(5H)-one
1-[2-(diethylamino)ethyl]-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
1-[2-(diethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
1-[2-(diethylamino)ethyl]-3-hydroxy-4-{[3-methyl-4-(2-methylpropoxy)phenyl]carbonyl}-5-(3-phenoxyphenyl)-3-pyrrolin-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 37.73
ACD/KOC (pH 5.5): 89.36
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 40.31
ACD/KOC (pH 7.4): 95.48
Polar Surface Area: 79 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

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