ChemSpider 2D Image | N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-8-quinolinesulfonamide | C29H32N4O5S2

N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-8-quinolinesulfonamide

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID22866441

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

8-Quinolinesulfonamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-N-[[3-methoxy-4-[2-(4-methyl-5-thiazolyl)ethoxy]phenyl]methyl]- [ACD/Index Name]
N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-8-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-{3-Méthoxy-4-[2-(4-méthyl-1,3-thiazol-5-yl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]-8-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-{3-Methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-8-quinolinesulfonamide [ACD/IUPAC 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: 1.668
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.12
ACD/KOC (pH 5.5): 1602.23
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.43
ACD/KOC (pH 7.4): 1612.22
Polar Surface Area: 147 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 419.3±5.0 cm3

Click to predict properties on the Chemicalize site


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