ChemSpider 2D Image | N~2~-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]acetyl}-3-methyl-L-valinamide | C22H25FN4O2

N2-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]acetyl}-3-methyl-L-valinamide

  • Molecular FormulaC22H25FN4O2
  • Average mass396.458 Da
  • Monoisotopic mass396.196167 Da
  • ChemSpider ID115285254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indazole-3-acetamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]- [ACD/Index Name]
N2-{[1-(4-Fluorbenzyl)-1H-indazol-3-yl]acetyl}-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N2-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]acetyl}-3-methyl-L-valinamide [ACD/IUPAC Name]
N2-{2-[1-(4-Fluorobenzyl)-1H-indazol-3-yl]acétyl}-3-méthyl-L-valinamide [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: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.21
ACD/KOC (pH 5.5): 1053.38
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.22
ACD/KOC (pH 7.4): 1053.39
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

Click to predict properties on the Chemicalize site


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