ChemSpider 2D Image | 4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C29H36N2O7

4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H36N2O7
  • Average mass524.605 Da
  • Monoisotopic mass524.252258 Da
  • ChemSpider ID12136524

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]-1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]- [ACD/Index Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-[2-(diméthylamino)éthyl]-3-hydroxy-5-[3-méthoxy-4-(pentyloxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-1-(2-dimethylamino-ethyl)-3-hydroxy-5-(3-methoxy-4-pentyloxy-phenyl)-1,5-dihydro-pyrrol-2-one
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(3-methoxy-4-(pentyloxy)phenyl)-1H-pyrrol-2(5H)-one
4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(3-methoxy-4-pentyloxyphenyl)-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: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 7.16
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 7.47
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

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