ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)(~2~H_4_)-1H-indazole-3-carboxamide | C20H24D4N4O2

N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)(2H4)-1H-indazole-3-carboxamide

  • Molecular FormulaC20H24D4N4O2
  • Average mass360.487 Da
  • Monoisotopic mass360.246338 Da
  • ChemSpider ID68004031

  • 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-4,5,6,7-d4-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)(2H4)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)(2H4)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-1-(cyclohexylméthyl)(2H4)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
AB-CHMINACA-d4 (exempt preparation)
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)-1H-indazole-d4-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.3±25.9 °C
Index of Refraction: 1.640
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.77
ACD/KOC (pH 5.5): 1176.39
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.68
ACD/KOC (pH 7.4): 1175.59
Polar Surface Area: 90 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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