
 CHEMBL126332

 46 48  0  0  0  0  0  0  0  0999 V2000
    4.0830    8.1401    3.2578 C   0  0  0  0  0
    5.1565    7.5469    2.3605 C   0  0  0  0  0
    4.5471    6.7779    1.1876 C   0  0  0  0  0
    5.6376    6.1801    0.2988 C   0  0  0  0  0
    5.0440    5.3758   -0.8628 C   0  0  0  0  0
    6.1358    4.8112   -1.7725 C   0  0  0  0  0
    6.9578    3.9362   -0.9987 O   0  0  0  0  0
    8.1715    3.6801   -1.5456 C   0  0  0  0  0
    8.3426    3.7757   -2.8668 N   0  0  0  0  0
    9.9537    3.3638   -3.1002 S   0  0  0  0  0
   10.4298    3.0660   -1.5184 N   0  0  0  0  0
    9.3268    3.2854   -0.7981 C   0  0  0  0  0
    9.3505    3.0982    0.5466 O   0  0  0  0  0
   10.6206    3.3475    1.1576 C   0  0  0  0  0
   11.5154    2.0810    1.1718 C   0  0  0  0  0
   12.0553    1.7837    2.5273 N   0  0  0  0  0
   12.7181    2.9974    3.0540 C   0  0  0  0  0
   11.7272    4.1605    3.2308 C   0  0  0  0  0
   10.3707    3.7657    2.6274 C   0  0  0  0  0
    9.8528    2.5487    3.4174 C   0  0  0  0  0
   10.9173    1.4404    3.4082 C   0  0  0  0  0
    4.5426    8.6819    4.0901 H   0  0  0  0  0
    3.4434    7.3559    3.6748 H   0  0  0  0  0
    3.4515    8.8410    2.7029 H   0  0  0  0  0
    5.7911    6.8783    2.9540 H   0  0  0  0  0
    5.7979    8.3526    1.9845 H   0  0  0  0  0
    3.9150    7.4493    0.5941 H   0  0  0  0  0
    3.9020    5.9770    1.5685 H   0  0  0  0  0
    6.2832    5.5346    0.9069 H   0  0  0  0  0
    6.2694    6.9847   -0.0975 H   0  0  0  0  0
    4.3744    6.0106   -1.4539 H   0  0  0  0  0
    4.4488    4.5500   -0.4551 H   0  0  0  0  0
    6.7158    5.6470   -2.1863 H   0  0  0  0  0
    5.6732    4.2485   -2.5921 H   0  0  0  0  0
   11.1356    4.1833    0.6619 H   0  0  0  0  0
   12.3592    2.2260    0.4852 H   0  0  0  0  0
   10.9730    1.2049    0.7933 H   0  0  0  0  0
   13.5297    3.2960    2.3785 H   0  0  0  0  0
   13.2009    2.7711    4.0122 H   0  0  0  0  0
   11.6094    4.3963    4.2950 H   0  0  0  0  0
   12.1149    5.0603    2.7392 H   0  0  0  0  0
    9.6480    4.5869    2.6873 H   0  0  0  0  0
    9.6322    2.8392    4.4513 H   0  0  0  0  0
    8.9185    2.1780    2.9805 H   0  0  0  0  0
   11.2821    1.2590    4.4269 H   0  0  0  0  0
   10.4685    0.4934    3.0839 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL126332

>  <PubChem CID>
44214356

>  <Formula>
C15H25N3O2S

>  <Molecular Weight>
311.444000

>  <IUPAC Name>
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-4-hexoxy-1,2,5-thiadiazole

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCOC1=NSN=C1OC2CN3CCC2CC3

>  <Isomeric SMILES>
CCCCCCOC1=NSN=C1OC2CN3CCC2CC3

>  <InChI Std. ID>
InChI=1S/C15H25N3O2S/c1-2-3-4-5-10-19-14-15(17-21-16-14)20-13-11-18-8-6-12(13)7-9-18/h12-13H,2-11H2,1H3

>  <InChI Key>
AZVUMUFNNDXLDJ-UHFFFAOYSA-N

