ChemSpider 2D Image | LY2886721 | C18H16F2N4O2S

LY2886721

  • Molecular FormulaC18H16F2N4O2S
  • Average mass390.407 Da
  • Monoisotopic mass390.096191 Da
  • ChemSpider ID28294998
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1262036-50-9 [RN]
2CQ62IWB67
LY 2886721
LY2886721
LY-2886721
N-{3-[(4aS,7aS)-2-Amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophényl}-5-fluoro-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(4aS,7aS)-2-Amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorphenyl}-5-fluor-2-pyridincarboxamid [German] [ACD/IUPAC Name]
UNII:2CQ62IWB67
;N-[3-[(4aS,7aS)-2-Amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-fluoro-2-pyridinecarboxamide
2-Pyridinecarboxamide, N-[3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-fluoro- [ACD/Index Name]
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Beta-secretase MedChem Express HY-13240
      LY2886721 is an BACE inhibitor used for the treatment of Alzheimer's Disease.; IC50 value:; Target: BACE; LY2886721 is a novel potent agent that is used to treat Alzheimer?s Disease in preclinical experiments. MedChem Express HY-13240
      LY2886721 is an BACE inhibitor used for the treatment of Alzheimer's Disease.;IC50 value:;Target: BACELY2886721 is a novel potent agent that is used to treat Alzheimer?s Disease in preclinical experiments. LY2886721 is under clinical study. A Safety Study of LY2886721 Multiple Doses is performing in Healthy Subjects. MedChem Express HY-13240
      Neuronal Signaling MedChem Express HY-13240
      Neuronal Signaling; MedChem Express HY-13240

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 54.20
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 66.41
Polar Surface Area: 115 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 248.6±7.0 cm3

Click to predict properties on the Chemicalize site






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