ChemSpider 2D Image | N-[1-{N'-Cyano-N-[3-(difluoromethoxy)-4-fluorophenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide | C22H19Cl2F3N6O3

N-[1-{N'-Cyano-N-[3-(difluoromethoxy)-4-fluorophenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide

  • Molecular FormulaC22H19Cl2F3N6O3
  • Average mass543.326 Da
  • Monoisotopic mass542.084778 Da
  • ChemSpider ID128959957

More details:

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

Acetamide, N-[1-[(Z)-(cyanoimino)[[3-(difluoromethoxy)-4-fluorophenyl]amino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxy- [ACD/Index Name]
N-[1-{N'-Cyan-N-[3-(difluormethoxy)-4-fluorphenyl]carbamimidoyl}-3-(3,4-dichlorphenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamid [German] [ACD/IUPAC Name]
N-[1-{N'-Cyano-N-[3-(difluoromethoxy)-4-fluorophenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide [ACD/IUPAC Name]
N-[1-{N'-Cyano-N-[3-(difluorométhoxy)-4-fluorophényl]carbamimidoyl}-3-(3,4-dichlorophényl)-4,5-dihydro-1H-pyrazol-4-yl]-N-éthyl-2-hydroxyacétamide [French] [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: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 107.41
ACD/KOC (pH 5.5): 989.54
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 107.41
ACD/KOC (pH 7.4): 989.54
Polar Surface Area: 114 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 360.7±7.0 cm3

Click to predict properties on the Chemicalize site


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