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Search term: APIHEIVEMHVHFH-ATVHPVEESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide | C21H20N4O5S2

4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

  • Molecular FormulaC21H20N4O5S2
  • Average mass472.537 Da
  • Monoisotopic mass472.087524 Da
  • ChemSpider ID30822918

  • 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-(5-methyl-1,3,4-thiadiazol-2-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(E)-(2-Ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide [ACD/IUPAC Name]
4-{[(E)-(2-Éthoxy-4-oxo-2H-chromén-3(4H)-ylidène)méthyl]amino}-N-(5-méthyl-1,3,4-thiadiazol-2-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(E)-(2-ethoxy-4-oxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 678.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.3±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 16.69
ACD/KOC (pH 5.5): 161.82
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 11.05
Polar Surface Area: 156 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

Click to predict properties on the Chemicalize site


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