ChemSpider 2D Image | 1-Isopropyl-N-[(3-endo)-8-{6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]hexyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-indazole-3-carboxamide | C30H47N5O2

1-Isopropyl-N-[(3-endo)-8-{6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]hexyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-indazole-3-carboxamide

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID28513405

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Indazole-3-carboxamide, N-[(3-endo)-8-[6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]hexyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)- [ACD/Index Name]
1-Isopropyl-N-[(3-endo)-8-{6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]hexyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
1-Isopropyl-N-[(3-endo)-8-{6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]hexyl}-8-azabicyclo[3.2.1]oct-3-yl]-1H-indazole-3-carboxamide [ACD/IUPAC Name]
1-Isopropyl-N-[(3-endo)-8-{6-[(2S)-2-(méthoxyméthyl)-1-pyrrolidinyl]hexyl}-8-azabicyclo[3.2.1]oct-3-yl]-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: 666.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement