ChemSpider 2D Image | PX 1 | C23H26FN3O2

PX 1

  • Molecular FormulaC23H26FN3O2
  • Average mass395.470 Da
  • Monoisotopic mass395.200897 Da
  • ChemSpider ID32055575

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-carboxamide, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-(5-fluoropentyl)- [ACD/Index Name]
Nα-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{[1-(5-Fluorpentyl)-1H-indol-3-yl]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
PX 1
5F-APP-PICA [ACD/IUPAC Name] [Wiki]
(2S)-2-{[1-(5-FLUOROPENTYL)-1H-INDOL-3-YL]FORMAMIDO}-3-PHENYLPROPANAMIDE
(2S)-2-{[1-(5-FLUOROPENTYL)INDOL-3-YL]FORMAMIDO}-3-PHENYLPROPANAMIDE
(S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide
2221100-71-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.92
ACD/KOC (pH 5.5): 1164.96
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.92
ACD/KOC (pH 7.4): 1164.96
Polar Surface Area: 77 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

Click to predict properties on the Chemicalize site


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