ChemSpider 2D Image | Ethyl 4-[(E)-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate | C21H19N7O5S2

Ethyl 4-[(E)-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC21H19N7O5S2
  • Average mass513.549 Da
  • Monoisotopic mass513.088928 Da
  • ChemSpider ID238363

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[(E)-2-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]sulfonyl]phenyl]diazenyl]-5-oxo-1-phenyl-, ethyl ester [ACD/Index Name]
4-[(E)-{4-[(5-Méthyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phényl}diazényl]-5-oxo-1-phényl-4,5-dihydro-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(E)-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(E)-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]

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

NSC114370 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 680.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±34.3 °C
Index of Refraction: 1.732
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 61.10
ACD/KOC (pH 5.5): 615.05
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 40.44
Polar Surface Area: 192 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement