ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-5-bromo-1H-indazole-3-carboxamide | C14H17BrN4O2

N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-5-bromo-1H-indazole-3-carboxamide

  • Molecular FormulaC14H17BrN4O2
  • Average mass353.214 Da
  • Monoisotopic mass352.053467 Da
  • ChemSpider ID114951996

  • 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)-2,2-dimethylpropyl]-5-bromo- [ACD/Index Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-5-brom-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-5-bromo-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-5-bromo-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 643.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.20
ACD/KOC (pH 5.5): 183.48
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 183.30
Polar Surface Area: 101 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 235.4±3.0 cm3

Click to predict properties on the Chemicalize site


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