ChemSpider 2D Image | 5,6-Dimethoxy-N-[3-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-butanyl]-1-benzofuran-2-carboxamide | C27H32N4O9S

5,6-Dimethoxy-N-[3-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-butanyl]-1-benzofuran-2-carboxamide

  • Molecular FormulaC27H32N4O9S
  • Average mass588.629 Da
  • Monoisotopic mass588.189026 Da
  • ChemSpider ID8320601

More details:

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

2-Benzofurancarboxamide, N-[1-[[[hexahydro-1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-1H-azepin-4-yl]amino]carbonyl]-2-methylpropyl]-5,6-dimethoxy- [ACD/Index Name]
5,6-Dimethoxy-N-[3-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-butanyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
5,6-Dimethoxy-N-[3-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-butanyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
5,6-Diméthoxy-N-[3-méthyl-1-oxo-1-({3-oxo-1-[(1-oxydo-2-pyridinyl)sulfonyl]-4-azépanyl}amino)-2-butanyl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 45.60
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.60
Polar Surface Area: 178 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 408.8±7.0 cm3

Click to predict properties on the Chemicalize site


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