
 BRN 5360513

 62 64  0  0  0  0  0  0  0  0999 V2000
   12.0326    5.8490   -3.2578 C   0  0  0  0  0
   11.1123    6.0064   -2.1325 N   0  0  0  0  0
   11.7417    6.7871   -1.0689 C   0  0  0  0  0
    9.8389    6.6320   -2.5369 C   0  0  0  0  0
    9.0655    5.8193   -3.5226 C   0  0  0  0  0
    8.6297    6.0584   -4.8101 C   0  0  0  0  0
    7.9780    4.8769   -5.2386 C   0  0  0  0  0
    8.0510    3.9880   -4.1861 C   0  0  0  0  0
    8.6849    4.5704   -3.1295 O   0  0  0  0  0
    7.5754    2.5972   -3.9961 C   0  0  0  0  0
    8.9201    1.3986   -3.7253 S   0  0  0  0  0
    9.8587    1.5872   -5.2723 C   0  0  0  0  0
    9.1197    1.2383   -6.5452 C   0  0  0  0  0
    8.2282    0.1597   -6.6274 C   0  0  0  0  0
    7.5931   -0.1588   -7.8311 C   0  0  0  0  0
    7.8581    0.5739   -8.9945 C   0  0  0  0  0
    8.7856    1.6220   -8.9278 C   0  0  0  0  0
    9.4029    1.9537   -7.7182 C   0  0  0  0  0
    7.1925    0.2004  -10.2956 C   0  0  0  0  0
    6.2621    1.5566  -11.0688 S   0  0  0  0  0
    5.0098    1.8294   -9.7729 C   0  0  0  0  0
    3.9987    2.8120  -10.2371 C   0  0  0  0  0
    3.9808    4.1898  -10.3128 C   0  0  0  0  0
    2.7307    4.5427  -10.8723 C   0  0  0  0  0
    2.0494    3.3623  -11.0890 C   0  0  0  0  0
    2.8181    2.3047  -10.6957 O   0  0  0  0  0
    0.7180    3.0267  -11.6740 C   0  0  0  0  0
   -0.3195    4.0417  -11.3989 N   0  0  0  0  0
   -1.5036    3.7669  -12.2165 C   0  0  0  0  0
   -0.6922    4.0502   -9.9814 C   0  0  0  0  0
   11.6233    5.1749   -4.0178 H   0  0  0  0  0
   12.9696    5.3891   -2.9239 H   0  0  0  0  0
   12.2710    6.8065   -3.7341 H   0  0  0  0  0
   12.6580    6.2966   -0.7216 H   0  0  0  0  0
   11.0800    6.8614   -0.1987 H   0  0  0  0  0
   11.9969    7.8014   -1.3966 H   0  0  0  0  0
   10.0158    7.6346   -2.9479 H   0  0  0  0  0
    9.1998    6.7592   -1.6530 H   0  0  0  0  0
    8.7782    6.9695   -5.3721 H   0  0  0  0  0
    7.5182    4.6889   -6.1989 H   0  0  0  0  0
    6.9663    2.2751   -4.8463 H   0  0  0  0  0
    6.9250    2.5603   -3.1153 H   0  0  0  0  0
   10.7352    0.9319   -5.2061 H   0  0  0  0  0
   10.2432    2.6126   -5.3172 H   0  0  0  0  0
    8.0176   -0.4521   -5.7523 H   0  0  0  0  0
    6.8989   -0.9962   -7.8504 H   0  0  0  0  0
    9.0377    2.1888   -9.8231 H   0  0  0  0  0
   10.1220    2.7710   -7.7042 H   0  0  0  0  0
    6.5102   -0.6462  -10.1595 H   0  0  0  0  0
    7.9637   -0.1331  -10.9992 H   0  0  0  0  0
    5.4947    2.2106   -8.8689 H   0  0  0  0  0
    4.5262    0.8776   -9.5300 H   0  0  0  0  0
    4.7819    4.8532  -10.0192 H   0  0  0  0  0
    2.3588    5.5328  -11.0976 H   0  0  0  0  0
    0.3932    2.0368  -11.3273 H   0  0  0  0  0
    0.8698    2.9489  -12.7589 H   0  0  0  0  0
   -1.2534    3.7982  -13.2828 H   0  0  0  0  0
   -2.2699    4.5331  -12.0542 H   0  0  0  0  0
   -1.9424    2.7873  -11.9937 H   0  0  0  0  0
    0.1551    4.3274   -9.3459 H   0  0  0  0  0
   -1.0715    3.0780   -9.6464 H   0  0  0  0  0
   -1.4681    4.8021   -9.7970 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 24 25  2  0  0  0
 24 54  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
BRN 5360513

>  <PubChem CID>
3071779

>  <Formula>
C24H32N2O2S2

>  <Molecular Weight>
444.652000

>  <IUPAC Name>
1-[5-[[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCC2=CC=C(C=C2)CSCC3=CC=C(O3)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCC2=CC=C(C=C2)CSCC3=CC=C(O3)CN(C)C

>  <InChI Std. ID>
InChI=1S/C24H32N2O2S2/c1-25(2)13-21-9-11-23(27-21)17-29-15-19-5-7-20(8-6-19)16-30-18-24-12-10-22(28-24)14-26(3)4/h5-12H,13-18H2,1-4H3

>  <InChI Key>
BKKRKDDJCRFGHJ-UHFFFAOYSA-N

