ChemSpider 2D Image | N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide | C21H23FN4O2

N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

  • Molecular FormulaC21H23FN4O2
  • Average mass382.431 Da
  • Monoisotopic mass382.180511 Da
  • ChemSpider ID98645292

  • defined stereocentres - 1 of 1 defined stereocentres

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-[(4-fluorophenyl)methyl]- [ACD/Index Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(4-fluorbenzyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-dimethyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3,3-diméthyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
1185282-00-1 [RN]
ADB-FUBINACAmissing

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.36
ACD/KOC (pH 5.5): 853.53
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.30
ACD/KOC (pH 7.4): 852.93
Polar Surface Area: 90 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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