ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-[(~2~H_5_)phenylmethyl]-1H-indazole-3-carboxamide | C21H19D5N4O2

N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-[(2H5)phenylmethyl]-1H-indazole-3-carboxamide

  • Molecular FormulaC21H19D5N4O2
  • Average mass369.472 Da
  • Monoisotopic mass369.221313 Da
  • ChemSpider ID128937972

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(phenyl-d5-methyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-[(2H5)phenylmethyl]-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-[(2H5)phenylmethyl]-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-1-[(2H5)phénylméthyl]-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.2±28.7 °C
Index of Refraction: 1.622
Molar Refractivity: 105.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 125.89
ACD/KOC (pH 5.5): 1108.59
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.82
ACD/KOC (pH 7.4): 1108.00
Polar Surface Area: 90 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

Click to predict properties on the Chemicalize site


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