ChemSpider 2D Image | 5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-N-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxo-1-phenylethyl}-1H-pyrazole-3-carboxamide | C29H26ClFN4O4S

5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-N-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxo-1-phenylethyl}-1H-pyrazole-3-carboxamide

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID120700602

More details:

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

1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-N-[2-[(3-fluoro-4-methylphenyl)amino]-2-oxo-1-phenylethyl]-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-N-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxo-1-phenylethyl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-(4-Chlorophényl)-1-(1,1-dioxydotétrahydro-3-thiophényl)-N-{2-[(3-fluoro-4-méthylphényl)amino]-2-oxo-1-phényléthyl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-N-{2-[(3-fluor-4-methylphenyl)amino]-2-oxo-1-phenylethyl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC 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: 872.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 481.3±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.98
ACD/KOC (pH 5.5): 2171.02
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 312.49
ACD/KOC (pH 7.4): 2107.03
Polar Surface Area: 119 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

Click to predict properties on the Chemicalize site


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