ChemSpider 2D Image | Nalpha-{[5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-pyrazol-3-yl]carbonyl}-N-(3-fluorophenyl)phenylalaninamide | C29H26ClFN4O4S

Nα-{[5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-pyrazol-3-yl]carbonyl}-N-(3-fluorophenyl)phenylalaninamide

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID120709209

More details:

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

1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-N-[2-[(3-fluorophenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
Nα-{[5-(4-Chlorophenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-pyrazol-3-yl]carbonyl}-N-(3-fluorophenyl)phenylalaninamide [ACD/IUPAC Name]
Nα-{[5-(4-Chlorophényl)-1-(1,1-dioxydotétrahydro-3-thiophényl)-1H-pyrazol-3-yl]carbonyl}-N-(3-fluorophényl)phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{[5-(4-Chlorphenyl)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-1H-pyrazol-3-yl]carbonyl}-N-(3-fluorphenyl)phenylalaninamid [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: 886.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 490.0±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.12
ACD/KOC (pH 5.5): 1712.48
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.95
ACD/KOC (pH 7.4): 1696.41
Polar Surface Area: 119 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

Click to predict properties on the Chemicalize site


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