ChemSpider 2D Image | 2-{4-[1-(2-Chlorobenzyl)-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide | C37H41ClN2O6

2-{4-[1-(2-Chlorobenzyl)-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide

  • Molecular FormulaC37H41ClN2O6
  • Average mass645.184 Da
  • Monoisotopic mass644.265320 Da
  • ChemSpider ID117922958

More details:

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

2-{4-[1-(2-Chlorbenzyl)-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalinylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamid [German] [ACD/IUPAC Name]
2-{4-[1-(2-Chlorobenzyl)-4-hydroxy-5-oxo-3-(5,6,7,8-tétrahydro-2-naphtalénylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-méthoxyphénoxy}-N,N-dipropylacétamide [French] [ACD/IUPAC Name]
2-{4-[1-(2-Chlorobenzyl)-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide [ACD/IUPAC Name]
Acetamide, 2-[4-[1-[(2-chlorophenyl)methyl]-2,5-dihydro-4-hydroxy-5-oxo-3-[(5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]-1H-pyrrol-2-yl]-2-methoxyphenoxy]-N,N-dipropyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 177.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 1949.36
ACD/KOC (pH 5.5): 3989.54
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 33.63
ACD/KOC (pH 7.4): 68.82
Polar Surface Area: 96 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 508.7±3.0 cm3

Click to predict properties on the Chemicalize site


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