ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-benzyl-1H-indazole-3-carboxamide | C21H24N4O2

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

  • Molecular FormulaC21H24N4O2
  • Average mass364.441 Da
  • Monoisotopic mass364.189911 Da
  • ChemSpider ID64854590
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1185282-27-2 [RN]
1H-Indazole-3-carboxamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-(phenylmethyl)- [ACD/Index Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-benzyl-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-benzyl-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-1-benzyl-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]

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

PUVP61SOSI [DBID]

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

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

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