ChemSpider 2D Image | 2-(4-{3-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-ethoxyphenoxy)-N,N-diethylacetamide | C33H44ClN3O6

2-(4-{3-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-ethoxyphenoxy)-N,N-diethylacetamide

  • Molecular FormulaC33H44ClN3O6
  • Average mass614.172 Da
  • Monoisotopic mass613.291870 Da
  • ChemSpider ID117964383

More details:

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

2-(4-{3-(2-Chlorbenzoyl)-1-[4-(diethylamino)butyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-ethoxyphenoxy)-N,N-diethylacetamid [German] [ACD/IUPAC Name]
2-(4-{3-(2-Chlorobenzoyl)-1-[4-(diethylamino)butyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-ethoxyphenoxy)-N,N-diethylacetamide [ACD/IUPAC Name]
2-(4-{3-(2-Chlorobenzoyl)-1-[4-(diéthylamino)butyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-éthoxyphénoxy)-N,N-diéthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[3-(2-chlorobenzoyl)-1-[4-(diethylamino)butyl]-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-2-yl]-2-ethoxyphenoxy]-N,N-diethyl- [ACD/Index 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: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.05
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 11.90
Polar Surface Area: 100 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 511.0±3.0 cm3

Click to predict properties on the Chemicalize site


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