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LY 2886721 Hydrochloride

CAT: 0013-GTR19190658-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190658-01Size:10 mg
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Description
LY 2886721 Hydrochloride
CAS Number
1262036-49-6
Field of Research
Neuroscience
Smiles
Cl.[H][C@@]12COC[C@@]1 (N=C (N) SC2) c1cc (NC (=O) c2ccc (F) cn2) ccc1F
Molecular Formula
C18H17ClF2N4O2S
Molecular Weight
426.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY-2886721 hydrochloride
CAS Number1262036-49-6
PubChem CID50902942
IUPAC NameN-[3-[(4aS,7aS)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;hydrochloride
Molecular FormulaC18H17ClF2N4O2S
Molecular Weight426.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity610
SMILES
C1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)F)F)N.Cl
InChI
InChI=1S/C18H16F2N4O2S.ClH/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18;/h1-6,10H,7-9H2,(H2,21,24)(H,23,25);1H/t10-,18-;/m0./s1
InChIKey
JHHMCINLHBUFHB-GHDSXOKHSA-N
Chemical Structure
2D Structure
2D structure of LY-2886721 hydrochloride
CAS: 1262036-49-6
CID: 50902942
Formula: C18H17ClF2N4O2S
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass426.0728810
Monoisotopic Mass426.0728810
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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