ChemSpider 2D Image | 3-[(4-{[N-(1-Benzofuran-2-ylcarbonyl)leucyl]amino}-3-oxo-1-azepanyl)sulfonyl]benzoic acid | C28H31N3O8S

3-[(4-{[N-(1-Benzofuran-2-ylcarbonyl)leucyl]amino}-3-oxo-1-azepanyl)sulfonyl]benzoic acid

  • Molecular FormulaC28H31N3O8S
  • Average mass569.626 Da
  • Monoisotopic mass569.183167 Da
  • ChemSpider ID8342296

More details:

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

3-[(4-{[N-(1-Benzofuran-2-ylcarbonyl)leucyl]amino}-3-oxo-1-azepanyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(4-{[N-(1-Benzofuran-2-ylcarbonyl)leucyl]amino}-3-oxo-1-azepanyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(4-{[N-(1-benzofuran-2-ylcarbonyl)leucyl]amino}-3-oxo-1-azépanyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[4-[[2-[(2-benzofuranylcarbonyl)amino]-4-methyl-1-oxopentyl]amino]hexahydro-3-oxo-1H-azepin-1-yl]sulfonyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 15.61
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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