ChemSpider 2D Image | Nalpha-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninamide | C21H24N4O2

Nα-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninamide

  • Molecular FormulaC21H24N4O2
  • Average mass364.441 Da
  • Monoisotopic mass364.189911 Da
  • ChemSpider ID71117213

  • 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-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-1-butyl- [ACD/Index Name]
Nα-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(1-Butyl-1H-indazol-3-yl)carbonyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
(S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-butyl-1H-indazole-3-carboxamide
2682867-56-5 [RN]
APP-BUTINACA

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.82
ACD/KOC (pH 5.5): 704.48
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.77
ACD/KOC (pH 7.4): 704.01
Polar Surface Area: 90 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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