ChemSpider 2D Image | N-[(2S,3S)-1-Amino-3-methyl-1-oxo-2-pentanyl]-1-pentyl-1H-indazole-3-carboxamide | C19H28N4O2

N-[(2S,3S)-1-Amino-3-methyl-1-oxo-2-pentanyl]-1-pentyl-1H-indazole-3-carboxamide

  • Molecular FormulaC19H28N4O2
  • Average mass344.451 Da
  • Monoisotopic mass344.221222 Da
  • ChemSpider ID30922437
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Indazole-3-carboxamide, N-[(1S,2S)-1-(aminocarbonyl)-2-methylbutyl]-1-pentyl- [ACD/Index Name]
N-[(2S,3S)-1-Amino-3-methyl-1-oxo-2-pentanyl]-1-pentyl-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-1-Amino-3-methyl-1-oxo-2-pentanyl]-1-pentyl-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S,3S)-1-Amino-3-méthyl-1-oxo-2-pentanyl]-1-pentyl-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
ADB-PINACA isomer 2
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-1-pentyl-1H-indazole-3-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.4±24.6 °C
Index of Refraction: 1.591
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.92
ACD/KOC (pH 5.5): 1604.04
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.80
ACD/KOC (pH 7.4): 1603.12
Polar Surface Area: 90 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 290.3±7.0 cm3

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