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Search term: XFKPSRXSSBKPHQ-RGEXLXHISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(E)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide | C23H20BrN3O5S

4-{[(E)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide

  • Molecular FormulaC23H20BrN3O5S
  • Average mass530.391 Da
  • Monoisotopic mass529.030701 Da
  • ChemSpider ID30822919

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(E)-(6-Brom-2-ethoxy-4-oxo-2H-chromen-3(4H)-yliden)methyl]amino}-N-(2-pyridinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(E)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide [ACD/IUPAC Name]
4-{[(E)-(6-Bromo-2-éthoxy-4-oxo-2H-chromén-3(4H)-ylidène)méthyl]amino}-N-(2-pyridinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(E)-(6-bromo-2-ethoxy-4-oxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino]-N-2-pyridinyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 695.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.7±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.31
ACD/KOC (pH 5.5): 2706.53
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 396.24
ACD/KOC (pH 7.4): 2446.75
Polar Surface Area: 115 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 330.5±5.0 cm3

Click to predict properties on the Chemicalize site


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