ChemSpider 2D Image | N-{3-[(4R)-2-Amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide | C18H14F3N5O2

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

  • Molecular FormulaC18H14F3N5O2
  • Average mass389.331 Da
  • Monoisotopic mass389.109955 Da
  • ChemSpider ID29405090

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[3-[(4R)-2-amino-5,5-difluoro-5,6-dihydro-4-methyl-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano- [ACD/Index Name]
N-[3-[(4r)-2-Azanylidene-5,5-Bis(Fluoranyl)-4-Methyl-1,3-Oxazinan-4-Yl]-4-Fluoranyl-Phenyl]-5-Cyano-Pyridine-2-Carboxamide
N-{3-[(4R)-2-Amino-5,5-difluor-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorphenyl}-5-cyan-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4R)-2-Amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyano-2-pyridinecarboxamide [ACD/IUPAC Name]
N-{3-[(4R)-2-Amino-5,5-difluoro-4-méthyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophényl}-5-cyano-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
1310347-50-2 [RN]
1310347-50-2 (free base)
6Z0
BACE1-IN-1
MFCD30533310
More...

    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: 1.619
    Molar Refractivity: 93.6±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 8.01
    ACD/KOC (pH 5.5): 154.23
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 7.98
    ACD/KOC (pH 7.4): 153.78
    Polar Surface Area: 113 Å2
    Polarizability: 37.1±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 266.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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