ChemSpider 2D Image | N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide | C19H15F4N5O2

N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide

  • Molecular FormulaC19H15F4N5O2
  • Average mass421.348 Da
  • Monoisotopic mass421.116180 Da
  • ChemSpider ID58805569

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-[(2R,3R)-5-amino-3,6-dihydro-3-methyl-2-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano- [ACD/Index Name]
N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluormethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorphenyl}-5-cyan-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(2R,3R)-5-Amino-3-méthyl-2-(trifluorométhyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophényl}-5-cyano-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
1352416-78-4 [RN]
BACE1-IN-2
N-(3-((2R,3R)-5-Amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl)-4-fluorophenyl)-5-cyanopicolinamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 120.57
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 134.29
Polar Surface Area: 113 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 285.6±7.0 cm3

Click to predict properties on the Chemicalize site


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