ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-5-bromo-1-butyl-1H-indazole-3-carboxamide | C18H25BrN4O2

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

  • Molecular FormulaC18H25BrN4O2
  • Average mass409.321 Da
  • Monoisotopic mass408.116089 Da
  • ChemSpider ID115005697

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 101.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.41
ACD/KOC (pH 5.5): 1289.07
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 155.12
ACD/KOC (pH 7.4): 1286.62
Polar Surface Area: 90 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 291.3±7.0 cm3

Click to predict properties on the Chemicalize site


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