ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(2-fluoropentyl)-1H-indazole-3-carboxamide | C18H25FN4O2

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(2-fluoropentyl)-1H-indazole-3-carboxamide

  • Molecular FormulaC18H25FN4O2
  • Average mass348.415 Da
  • Monoisotopic mass348.196167 Da
  • ChemSpider ID58781819
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(2-fluoropentyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(2-fluoropentyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(2-fluoropentyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(2-fluorpentyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±27.3 °C
Index of Refraction: 1.589
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.50
ACD/KOC (pH 5.5): 392.40
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.48
ACD/KOC (pH 7.4): 392.05
Polar Surface Area: 90 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 277.1±7.0 cm3

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