ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobutyl)-1H-indazole-3-carboxamide | C17H23FN4O2

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobutyl)-1H-indazole-3-carboxamide

  • Molecular FormulaC17H23FN4O2
  • Average mass334.388 Da
  • Monoisotopic mass334.180511 Da
  • ChemSpider ID28537616

  • 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)-2-methylpropyl]-1-(4-fluorobutyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorbutyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobutyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(4-fluorobutyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobutyl)-1H-indazole-3-carboxamide
1864889-46-2 [RN]
4-fluoro AB-BUTINACA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.6±45.0 °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: 318.2±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 89.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.40
ACD/KOC (pH 5.5): 173.06
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.39
ACD/KOC (pH 7.4): 172.94
Polar Surface Area: 90 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 261.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement