
 BRN 5353847

 55 56  0  0  0  0  0  0  0  0999 V2000
    3.3641   -1.1150    0.2254 C   0  0  0  0  0
    4.7677   -1.1200    0.6494 N   0  0  0  0  0
    5.1978   -2.4990    0.8989 C   0  0  0  0  0
    5.6334   -0.5274   -0.3895 C   0  0  0  0  0
    5.3992    0.9283   -0.6125 C   0  0  0  0  0
    5.4401    2.0426    0.1985 C   0  0  0  0  0
    5.2172    3.1608   -0.6437 C   0  0  0  0  0
    5.0501    2.6604   -1.9189 C   0  0  0  0  0
    5.1234    1.2996   -1.8952 O   0  0  0  0  0
    4.8041    3.2790   -3.2437 C   0  0  0  0  0
    6.3360    3.5850   -4.1883 S   0  0  0  0  0
    6.9972    1.8863   -4.3732 C   0  0  0  0  0
    6.1076    0.9850   -5.2313 C   0  0  0  0  0
    6.7381   -0.3807   -5.5303 C   0  0  0  0  0
    6.8949   -1.4087   -4.0355 S   0  0  0  0  0
    7.4933   -2.9486   -4.8006 C   0  0  0  0  0
    7.6550   -4.0533   -3.8160 C   0  0  0  0  0
    7.0884   -4.3633   -2.5942 C   0  0  0  0  0
    7.6562   -5.5911   -2.1806 C   0  0  0  0  0
    8.5298   -5.9719   -3.1778 C   0  0  0  0  0
    8.5311   -5.0397   -4.1748 O   0  0  0  0  0
    9.4092   -7.1616   -3.3735 C   0  0  0  0  0
   10.3405   -7.3881   -2.2505 N   0  0  0  0  0
   11.0110   -8.6794   -2.4212 C   0  0  0  0  0
   11.3428   -6.3209   -2.1705 C   0  0  0  0  0
    2.9789   -0.0930    0.1455 H   0  0  0  0  0
    2.7371   -1.6196    0.9697 H   0  0  0  0  0
    3.2189   -1.6177   -0.7381 H   0  0  0  0  0
    4.6038   -2.9492    1.7017 H   0  0  0  0  0
    6.2425   -2.5261    1.2295 H   0  0  0  0  0
    5.1035   -3.1299    0.0073 H   0  0  0  0  0
    5.5183   -1.0729   -1.3331 H   0  0  0  0  0
    6.6844   -0.6326   -0.0894 H   0  0  0  0  0
    5.6292    2.0411    1.2631 H   0  0  0  0  0
    5.1971    4.2035   -0.3603 H   0  0  0  0  0
    4.3177    4.2504   -3.1013 H   0  0  0  0  0
    4.1161    2.6734   -3.8402 H   0  0  0  0  0
    7.1907    1.4640   -3.3844 H   0  0  0  0  0
    7.9739    1.9905   -4.8593 H   0  0  0  0  0
    5.9227    1.4795   -6.1941 H   0  0  0  0  0
    5.1281    0.8362   -4.7631 H   0  0  0  0  0
    7.7269   -0.2517   -5.9820 H   0  0  0  0  0
    6.1021   -0.9114   -6.2469 H   0  0  0  0  0
    8.4547   -2.7410   -5.2820 H   0  0  0  0  0
    6.7818   -3.2638   -5.5707 H   0  0  0  0  0
    6.3535   -3.7719   -2.0672 H   0  0  0  0  0
    7.4595   -6.1419   -1.2713 H   0  0  0  0  0
    9.9556   -7.0763   -4.3217 H   0  0  0  0  0
    8.7434   -8.0296   -3.4700 H   0  0  0  0  0
   10.2803   -9.4960   -2.4264 H   0  0  0  0  0
   11.6912   -8.8757   -1.5847 H   0  0  0  0  0
   11.5881   -8.7271   -3.3522 H   0  0  0  0  0
   10.8781   -5.3515   -1.9624 H   0  0  0  0  0
   11.9295   -6.2338   -3.0923 H   0  0  0  0  0
   12.0350   -6.5097   -1.3418 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
M  END

>  <Chemical Name>
BRN 5353847

>  <PubChem CID>
3071772

>  <Formula>
C19H30N2O2S2

>  <Molecular Weight>
382.581000

>  <IUPAC Name>
1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3

>  <InChI Key>
ZYKGNFBRZVTSQT-UHFFFAOYSA-N

