ChemSpider 2D Image | 4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C31H38N2O7

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

  • Molecular FormulaC31H38N2O7
  • Average mass550.643 Da
  • Monoisotopic mass550.267883 Da
  • ChemSpider ID12220997

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]-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-[3-(pentyloxy)phenyl]- [ACD/Index Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-[3-(pentyloxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-[3-(pentyloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-(pentyloxy)phenyl)-1H-pyrrol-2(5H)-one
4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-ylcarbonyl)-3-hydroxy-1-(3-morpholin-4-ylpropyl)-5-(3-pentyloxyphenyl)-3-pyrrolin-2-one
585562-15-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 402.0±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 15.87
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 7.87
Polar Surface Area: 98 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 441.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement