ChemSpider 2D Image | 1-(6-Bromo-1H-indazol-3-yl)-N-[(2S,3R)-1-hydroxy-3-methyl-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide | C18H23BrN4O3

1-(6-Bromo-1H-indazol-3-yl)-N-[(2S,3R)-1-hydroxy-3-methyl-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC18H23BrN4O3
  • Average mass423.304 Da
  • Monoisotopic mass422.095337 Da
  • ChemSpider ID35144249

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-(6-Brom-1H-indazol-3-yl)-N-[(2S,3R)-1-hydroxy-3-methyl-2-pentanyl]-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
1-(6-Bromo-1H-indazol-3-yl)-N-[(2S,3R)-1-hydroxy-3-methyl-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(6-Bromo-1H-indazol-3-yl)-N-[(2S,3R)-1-hydroxy-3-méthyl-2-pentanyl]-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(6-bromo-1H-indazol-3-yl)-N-[(1S,2R)-1-(hydroxymethyl)-2-methylbutyl]-5-oxo- [ACD/Index Name]
1-(6-bromo-1H-indazol-3-yl)-N-((2S,3R)-1-hydroxy-3-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide
1-(6-bromo-1H-indazol-3-yl)-N-[(1S)-1-(hydroxymethyl)-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.85
ACD/KOC (pH 5.5): 316.56
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.85
ACD/KOC (pH 7.4): 316.56
Polar Surface Area: 98 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 283.2±3.0 cm3

Click to predict properties on the Chemicalize site


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