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

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

  • Molecular FormulaC19H28N4O2
  • Average mass344.451 Da
  • Monoisotopic mass344.221222 Da
  • ChemSpider ID30922438
  • 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)-1-(aminocarbonyl)pentyl]-1-pentyl- [ACD/Index Name]
N-[(2S)-1-Amino-1-oxo-2-hexanyl]-1-pentyl-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-1-oxo-2-hexanyl]-1-pentyl-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-1-oxo-2-hexanyl]-1-pentyl-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-[(1-PENTYL-1H-INDAZOL-3-YL)FORMAMIDO]HEXANAMIDE
(2S)-2-[(1-PENTYLINDAZOL-3-YL)FORMAMIDO]HEXANAMIDE
(S)-N-(1-amino-1-oxohexan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
ADB-PINACA isomer 3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±25.9 °C
Index of Refraction: 1.590
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.09
ACD/KOC (pH 5.5): 1500.16
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.98
ACD/KOC (pH 7.4): 1499.32
Polar Surface Area: 90 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 291.2±7.0 cm3

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