ChemSpider 2D Image | Ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylate | C21H19N7O5S2

Ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC21H19N7O5S2
  • Average mass513.549 Da
  • Monoisotopic mass513.088928 Da
  • ChemSpider ID24692840

More details:

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

1-(3-Aminophényl)-5-phényl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(3-aminophenyl)-3-[[[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino]carbonyl]-5-phenyl-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(3-aminophenyl)-5-phenyl-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.762
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 21.45
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 222 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 75.7±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement