ChemSpider 2D Image | 5-Methoxy-N-[(2S)-4-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide | C27H32N4O8S

5-Methoxy-N-[(2S)-4-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID8320157

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Benzofurancarboxamide, N-[(1S)-1-[[[hexahydro-1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-5-methoxy- [ACD/Index Name]
5-Methoxy-N-[(2S)-4-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
5-Methoxy-N-[(2S)-4-methyl-1-({1-[(1-oxido-2-pyridinyl)sulfonyl]-3-oxo-4-azepanyl}amino)-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
5-Méthoxy-N-[(2S)-4-méthyl-1-oxo-1-({3-oxo-1-[(1-oxydo-2-pyridinyl)sulfonyl]-4-azépanyl}amino)-2-pentanyl]-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: 1.645
Molar Refractivity: 146.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 65.56
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.42
ACD/KOC (pH 7.4): 65.56
Polar Surface Area: 169 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement