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Search term: GTWPGRUYKSGKGF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(1-Carbamimidoyl-4-piperidinyl)methyl]-2-{(2S,3R)-3-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-hydroxy-1-azepanyl}acetamide | C23H36N6O5S

N-[(1-Carbamimidoyl-4-piperidinyl)methyl]-2-{(2S,3R)-3-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-hydroxy-1-azepanyl}acetamide

  • Molecular FormulaC23H36N6O5S
  • Average mass508.634 Da
  • Monoisotopic mass508.246796 Da
  • ChemSpider ID8521640

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Azepine-1-acetamide, N-[[1-[(E)-aminoiminomethyl]-4-piperidinyl]methyl]-3-[[(2,3-dihydro-5-benzofuranyl)sulfonyl]amino]hexahydro-2-hydroxy-, (2S,3R)- [ACD/Index Name]
N-[(1-Carbamimidoyl-4-piperidinyl)methyl]-2-{(2S,3R)-3-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-hydroxy-1-azepanyl}acetamid [German] [ACD/IUPAC Name]
N-[(1-Carbamimidoyl-4-piperidinyl)methyl]-2-{(2S,3R)-3-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-hydroxy-1-azepanyl}acetamide [ACD/IUPAC Name]
N-[(1-Carbamimidoyl-4-pipéridinyl)méthyl]-2-{(2S,3R)-3-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-hydroxy-1-azépanyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

Click to predict properties on the Chemicalize site


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