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

N-[(4S)-1-{N'-Cyano-N-[3-(trifluoromethoxy)phenyl]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 ID58923558

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[(4S)-1-[(Z)-(cyanoimino)[[3-(trifluoromethoxy)phenyl]amino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxy- [ACD/Index Name]
N-[(4S)-1-{N'-Cyan-N-[3-(trifluormethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorphenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamid [German] [ACD/IUPAC Name]
N-[(4S)-1-{N'-Cyano-N-[3-(trifluoromethoxy)phenyl]carbamimidoyl}-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide [ACD/IUPAC Name]
N-[(4S)-1-{N'-Cyano-N-[3-(trifluorométhoxy)phényl]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: 626.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.5±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.10
ACD/KOC (pH 5.5): 2059.67
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.10
ACD/KOC (pH 7.4): 2059.66
Polar Surface Area: 114 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 366.1±7.0 cm3

Click to predict properties on the Chemicalize site


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