ChemSpider 2D Image | N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide | C28H39N3O6S

N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID23045537

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[3,5-dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]phenyl]methyl]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]- [ACD/Index Name]
N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide [ACD/IUPAC Name]
N-{3,5-Diméthoxy-4-[2-(1-méthyl-2-pyrrolidinyl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]benzènesulfonamide [French] [ACD/IUPAC Name]
N-{3,5-Dimethoxy-4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]benzolsulfonamid [German] [ACD/IUPAC Name]

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: 1.605
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 106 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

Click to predict properties on the Chemicalize site


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