ChemSpider 2D Image | N-[(2S)-4-Methyl-1-{[(4S,7S)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide | C27H32N4O6S

N-[(2S)-4-Methyl-1-{[(4S,7S)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide

  • Molecular FormulaC27H32N4O6S
  • Average mass540.631 Da
  • Monoisotopic mass540.204285 Da
  • ChemSpider ID9809987

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Benzofurancarboxamide, N-[(1S)-1-[[[(4S,7S)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-[(2S)-4-Methyl-1-{[(4S,7S)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-4-Methyl-1-{[(4S,7S)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-1-oxo-2-pentanyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-4-Méthyl-1-{[(4S,7S)-7-méthyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azépanyl]amino}-1-oxo-2-pentanyl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-4-methyl-1-{[(4S,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]amino}-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
Azepan-3-one compound 11
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377713/
N-((S)-4-methyl-1-((4S,7S)-7-methyl-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylamino)-1-oxopentan-2-yl)benzofuran-2-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 52.01
ACD/KOC (pH 5.5): 588.80
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.01
ACD/KOC (pH 7.4): 588.79
Polar Surface Area: 147 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 400.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement