ChemSpider 2D Image | N-[(1R,9aS)-Octahydro-2H-quinolizin-1-ylmethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | C18H28N4O

N-[(1R,9aS)-Octahydro-2H-quinolizin-1-ylmethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

  • Molecular FormulaC18H28N4O
  • Average mass316.441 Da
  • Monoisotopic mass316.226318 Da
  • ChemSpider ID65001348

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indazole-3-carboxamide, 4,5,6,7-tetrahydro-N-[[(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
N-[(1R,9aS)-Octahydro-2H-chinolizin-1-ylmethyl]-4,5,6,7-tetrahydro-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(1R,9aS)-Octahydro-2H-quinolizin-1-ylmethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(1R,9aS)-Octahydro-2H-quinolizin-1-ylméthyl]-4,5,6,7-tétrahydro-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 272.0±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 61 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 263.2±5.0 cm3

Click to predict properties on the Chemicalize site


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