ChemSpider 2D Image | N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide | C26H30N4O6S

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

  • Molecular FormulaC26H30N4O6S
  • Average mass526.605 Da
  • Monoisotopic mass526.188599 Da
  • ChemSpider ID4449844

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Benzofurancarboxamide, N-[(1S)-1-[[[(4S)-hexahydro-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-4-Méthyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azépanyl]amino}-2-pentanyl]-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
2CA
Azepan-3-one compound 1
BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL286364/

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

SB-357114 [DBID]

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: 1.636
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.38
ACD/KOC (pH 5.5): 391.26
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.38
ACD/KOC (pH 7.4): 391.26
Polar Surface Area: 147 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 384.2±5.0 cm3

Click to predict properties on the Chemicalize site


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