ChemSpider 2D Image | N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-(cyclohexylmethyl)-2H-indazole-3-carboxamide | C20H28N4O2

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

  • Molecular FormulaC20H28N4O2
  • Average mass356.462 Da
  • Monoisotopic mass356.221222 Da
  • ChemSpider ID58789143

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-2-(cyclohexylmethyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-(cyclohexylmethyl)-2H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-2-(cyclohexylmethyl)-2H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]-2-(cyclohexylméthyl)-2H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-{[2-(CYCLOHEXYLMETHYL)-2H-INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(2S)-2-{[2-(CYCLOHEXYLMETHYL)INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANAMIDE
(S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(cyclohexylmethyl)-2H-indazole-3-carboxamide
2186-92-7 [RN]
2237296-99-8 [RN]
AB-CHMINACA 2'-indazole isomer
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 645.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±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: 3.55
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 225.51
ACD/KOC (pH 5.5): 1682.70
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.51
ACD/KOC (pH 7.4): 1682.66
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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