ChemSpider 2D Image | 4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one | C32H37N3O7

4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC32H37N3O7
  • Average mass575.652 Da
  • Monoisotopic mass575.263123 Da
  • ChemSpider ID12221224

More details:

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

2H-Pyrrol-2-one, 4-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]- [ACD/Index Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-[3-éthoxy-4-(3-méthylbutoxy)phényl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-(3-(1H-imidazol-1-yl)propyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonyl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-(3-imidazolylpropyl)-3-pyrrolin-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: 790.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.6±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.08
Polar Surface Area: 112 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 445.7±7.0 cm3

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