ChemSpider 2D Image | Nalpha-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide | C22H25FN4O2

Nα-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide

  • Molecular FormulaC22H25FN4O2
  • Average mass396.458 Da
  • Monoisotopic mass396.196167 Da
  • ChemSpider ID32741702
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indazole-3-carboxamide, N-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-(5-fluoropentyl)- [ACD/Index Name]
Nα-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamide [ACD/IUPAC Name]
Nα-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-D-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{[1-(5-Fluorpentyl)-1H-indazol-3-yl]carbonyl}-D-phenylalaninamid [German] [ACD/IUPAC Name]
(R)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide
PX 2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 691.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.52
ACD/KOC (pH 5.5): 592.96
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.49
ACD/KOC (pH 7.4): 592.58
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

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