ChemSpider 2D Image | N-[(2R)-1-Amino-1-oxo-2-propanyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide | C22H21F6N5O3

N-[(2R)-1-Amino-1-oxo-2-propanyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID25058682

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-[6-methyl-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]-1H-indazol-1-yl]- [ACD/Index Name]
N-[(1r)-2-Amino-1-Methyl-2-Oxoethyl]-3-(6-Methyl-4-{[3,3,3-Trifluoro-2-Hydroxy-2-(Trifluoromethyl)propyl]amino}-1h-Indazol-1-Yl)benzamide
N-[(2R)-1-Amino-1-oxo-2-propanyl]-3-(6-methyl-4-{[3,3,3-trifluor-2-hydroxy-2-(trifluormethyl)propyl]amino}-1H-indazol-1-yl)benzamid [German] [ACD/IUPAC Name]
N-[(2R)-1-Amino-1-oxo-2-propanyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide [ACD/IUPAC Name]
N-[(2R)-1-Amino-1-oxo-2-propanyl]-3-(6-méthyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluorométhyl)propyl]amino}-1H-indazol-1-yl)benzamide [French] [ACD/IUPAC Name]
JZS

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

Density: 1.5±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.5±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.24
ACD/KOC (pH 5.5): 1123.30
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.41
ACD/KOC (pH 7.4): 1107.28
Polar Surface Area: 122 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 346.0±7.0 cm3

Click to predict properties on the Chemicalize site


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