ChemSpider 2D Image | Ethyl 1-[4-({[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}amino)phenyl]-1H-pyrazole-3-carboxylate | C18H19N5O6S

Ethyl 1-[4-({[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}amino)phenyl]-1H-pyrazole-3-carboxylate

  • Molecular FormulaC18H19N5O6S
  • Average mass433.438 Da
  • Monoisotopic mass433.105591 Da
  • ChemSpider ID30072988

More details:

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

1-[4-({[4-(Éthoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}amino)phényl]-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-[4-[[[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl]amino]phenyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[4-({[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}amino)phenyl]-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-[4-({[4-(ethoxycarbonyl)-1H-pyrazol-5-yl]sulfonyl}amino)phenyl]-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC 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: 660.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.0±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.37
ACD/KOC (pH 5.5): 247.57
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 24.67
Polar Surface Area: 154 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 292.4±7.0 cm3

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