ChemSpider 2D Image | N-(4-Fluorobenzyl)-1-methyl-5-{[(3-methyl-3-oxetanyl)methyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | C21H27FN4O2

N-(4-Fluorobenzyl)-1-methyl-5-{[(3-methyl-3-oxetanyl)methyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

  • Molecular FormulaC21H27FN4O2
  • Average mass386.463 Da
  • Monoisotopic mass386.211792 Da
  • ChemSpider ID22238322

More details:

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

1H-Indazole-3-carboxamide, N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-methyl-5-[[(3-methyl-3-oxetanyl)methyl]amino]- [ACD/Index Name]
N-(4-Fluorbenzyl)-1-methyl-5-{[(3-methyl-3-oxetanyl)methyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-1-methyl-5-{[(3-methyl-3-oxetanyl)methyl]amino}-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-1-méthyl-5-{[(3-méthyl-3-oxétanyl)méthyl]amino}-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: 1.3±0.1 g/cm3
Boiling Point: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.2±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.60
Polar Surface Area: 68 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 291.7±7.0 cm3

Click to predict properties on the Chemicalize site


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