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Search term: PPMZPBIRIUZHLT-CYVLTUHYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide | C23H21N3O5S

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

  • Molecular FormulaC23H21N3O5S
  • Average mass451.495 Da
  • Monoisotopic mass451.120178 Da
  • ChemSpider ID30822374

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-yliden)methyl]amino}-N-(2-pyridinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide [ACD/IUPAC Name]
4-{[(E)-(2-Éthoxy-4-oxo-2H-chromén-3(4H)-ylidène)méthyl]amino}-N-(2-pyridinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(E)-(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: 1.4±0.1 g/cm3
Boiling Point: 657.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.51
ACD/KOC (pH 5.5): 936.51
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 90.57
ACD/KOC (pH 7.4): 852.33
Polar Surface Area: 115 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

Click to predict properties on the Chemicalize site


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