ChemSpider 2D Image | 2-{4-[1-(1,3-Benzodioxol-5-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide | C34H35N3O10

2-{4-[1-(1,3-Benzodioxol-5-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID117955247

More details:

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

2-{4-[1-(1,3-Benzodioxol-5-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamid [German] [ACD/IUPAC Name]
2-{4-[1-(1,3-Benzodioxol-5-ylmethyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenoxy}-N,N-dipropylacetamide [ACD/IUPAC Name]
2-{4-[1-(1,3-Benzodioxol-5-ylméthyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-méthoxyphénoxy}-N,N-dipropylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dihydro-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-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: 1.4±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 463.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 22.08
ACD/KOC (pH 5.5): 161.46
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 161 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 473.0±3.0 cm3

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