
 BRN 5359326

 73 74  0  0  0  0  0  0  0  0999 V2000
    4.0358   -2.6843    2.0228 C   0  0  0  0  0
    4.3611   -1.4907    1.2421 N   0  0  0  0  0
    3.1676   -0.6587    1.0867 C   0  0  0  0  0
    5.4808   -0.7595    1.8705 C   0  0  0  0  0
    5.8916    0.4550    1.1036 C   0  0  0  0  0
    5.4897    1.7755    1.1481 C   0  0  0  0  0
    6.1712    2.4380    0.1016 C   0  0  0  0  0
    6.9749    1.4908   -0.5002 C   0  0  0  0  0
    6.8239    0.2862    0.1229 O   0  0  0  0  0
    7.9197    1.5318   -1.6413 C   0  0  0  0  0
    7.0333    1.4349   -3.2287 S   0  0  0  0  0
    8.4772    1.3866   -4.3334 C   0  0  0  0  0
    8.0209    1.3050   -5.7878 C   0  0  0  0  0
    9.2193    1.3103   -6.7411 C   0  0  0  0  0
    8.7605    1.2612   -8.1986 C   0  0  0  0  0
    9.9463    1.2711   -9.1641 C   0  0  0  0  0
    9.4662    1.2532  -10.6156 C   0  0  0  0  0
   10.6377    1.2453  -11.5979 C   0  0  0  0  0
   10.1378    1.2665  -13.0445 C   0  0  0  0  0
   11.3026    1.2266  -14.0301 C   0  0  0  0  0
   10.6686    1.3176  -15.7311 S   0  0  0  0  0
   12.2404    1.0668  -16.6174 C   0  0  0  0  0
   12.0144    1.0433  -18.0823 C   0  0  0  0  0
   11.8870    2.0289  -19.0378 C   0  0  0  0  0
   11.6835    1.3675  -20.2703 C   0  0  0  0  0
   11.6661    0.0150  -19.9911 C   0  0  0  0  0
   11.9033   -0.1874  -18.6621 O   0  0  0  0  0
   11.4390   -1.1947  -20.8365 C   0  0  0  0  0
   10.0170   -1.5873  -20.9309 N   0  0  0  0  0
    9.1888   -0.5437  -21.5358 C   0  0  0  0  0
    9.8929   -2.8259  -21.6992 C   0  0  0  0  0
    4.8973   -3.3580    2.0836 H   0  0  0  0  0
    3.2311   -3.2510    1.5399 H   0  0  0  0  0
    3.7152   -2.4374    3.0417 H   0  0  0  0  0
    2.3476   -1.2379    0.6482 H   0  0  0  0  0
    3.3433    0.1662    0.3889 H   0  0  0  0  0
    2.8267   -0.2442    2.0421 H   0  0  0  0  0
    6.3516   -1.4263    1.9372 H   0  0  0  0  0
    5.2279   -0.4674    2.8982 H   0  0  0  0  0
    4.7520    2.1901    1.8204 H   0  0  0  0  0
    6.0737    3.4724   -0.1975 H   0  0  0  0  0
    8.6268    0.6994   -1.5739 H   0  0  0  0  0
    8.4881    2.4666   -1.6139 H   0  0  0  0  0
    9.0915    0.5157   -4.0821 H   0  0  0  0  0
    9.0719    2.2919   -4.1747 H   0  0  0  0  0
    7.3694    2.1552   -6.0267 H   0  0  0  0  0
    7.4371    0.3896   -5.9486 H   0  0  0  0  0
    9.8652    0.4501   -6.5272 H   0  0  0  0  0
    9.8176    2.2145   -6.5751 H   0  0  0  0  0
    8.1122    2.1213   -8.4065 H   0  0  0  0  0
    8.1608    0.3579   -8.3644 H   0  0  0  0  0
   10.5843    0.3996   -8.9739 H   0  0  0  0  0
   10.5573    2.1650   -8.9900 H   0  0  0  0  0
    8.8368    2.1320  -10.8026 H   0  0  0  0  0
    8.8416    0.3676  -10.7850 H   0  0  0  0  0
   11.2520    0.3522  -11.4310 H   0  0  0  0  0
   11.2774    2.1178  -11.4178 H   0  0  0  0  0
    9.5391    2.1728  -13.2018 H   0  0  0  0  0
    9.4779    0.4053  -13.2105 H   0  0  0  0  0
   11.8674    0.2972  -13.9044 H   0  0  0  0  0
   11.9766    2.0722  -13.8593 H   0  0  0  0  0
   12.6950    0.1308  -16.2886 H   0  0  0  0  0
   12.9204    1.8878  -16.3634 H   0  0  0  0  0
   11.9193    3.0936  -18.8592 H   0  0  0  0  0
   11.5220    1.8162  -21.2402 H   0  0  0  0  0
   12.0105   -2.0217  -20.3953 H   0  0  0  0  0
   11.8597   -1.0192  -21.8349 H   0  0  0  0  0
    9.1408    0.3464  -20.9002 H   0  0  0  0  0
    8.1527   -0.8850  -21.6382 H   0  0  0  0  0
    9.5527   -0.2487  -22.5265 H   0  0  0  0  0
   10.4484   -3.6387  -21.2187 H   0  0  0  0  0
   10.2612   -2.7136  -22.7259 H   0  0  0  0  0
    8.8465   -3.1477  -21.7441 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
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  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
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 31 73  1  0  0  0
M  END

>  <Chemical Name>
BRN 5359326

>  <PubChem CID>
3071778

>  <Formula>
C25H42N2O2S2

>  <Molecular Weight>
466.743000

>  <IUPAC Name>
1-[5-[9-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]nonylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C25H42N2O2S2/c1-26(2)18-22-12-14-24(28-22)20-30-16-10-8-6-5-7-9-11-17-31-21-25-15-13-23(29-25)19-27(3)4/h12-15H,5-11,16-21H2,1-4H3

>  <InChI Key>
MYTVLVZQXNODTK-UHFFFAOYSA-N

