ChemSpider 2D Image | 2-[2,3-Dibromo-4-({[(2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]imino}methyl)-6-ethoxyphenoxy]acetamide | C20H19Br2N3O5

2-[2,3-Dibromo-4-({[(2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]imino}methyl)-6-ethoxyphenoxy]acetamide

  • Molecular FormulaC20H19Br2N3O5
  • Average mass541.190 Da
  • Monoisotopic mass538.969116 Da
  • ChemSpider ID79740165

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-[2,3-Dibrom-4-({[(2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]imino}methyl)-6-ethoxyphenoxy]acetamid [German] [ACD/IUPAC Name]
2-[2,3-Dibromo-4-({[(2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]imino}methyl)-6-ethoxyphenoxy]acetamide [ACD/IUPAC Name]
2-[2,3-Dibromo-4-({[(2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl]imino}méthyl)-6-éthoxyphénoxy]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[2,3-dibromo-6-ethoxy-4-[[[(3aR,7S,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]imino]methyl]phenoxy]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 676.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 111 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 66.2±7.0 dyne/cm
Molar Volume: 281.6±7.0 cm3

Click to predict properties on the Chemicalize site


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