
 BRN 5358078

 70 71  0  0  0  0  0  0  0  0999 V2000
    3.6791   -2.4278    1.9480 C   0  0  0  0  0
    4.0525   -1.2301    1.1946 N   0  0  0  0  0
    2.9022   -0.3323    1.0835 C   0  0  0  0  0
    5.2110   -0.5771    1.8358 C   0  0  0  0  0
    5.7417    0.5895    1.0704 C   0  0  0  0  0
    5.5400    1.9514    1.1692 C   0  0  0  0  0
    6.3126    2.5473    0.1452 C   0  0  0  0  0
    6.9514    1.5155   -0.5112 C   0  0  0  0  0
    6.6216    0.3222    0.0625 O   0  0  0  0  0
    7.8917    1.4645   -1.6558 C   0  0  0  0  0
    6.9931    1.5519   -3.2364 S   0  0  0  0  0
    8.4168    1.4075   -4.3557 C   0  0  0  0  0
    7.9420    1.3771   -5.8064 C   0  0  0  0  0
    9.1338    1.3117   -6.7640 C   0  0  0  0  0
    8.6775    1.2867   -8.2230 C   0  0  0  0  0
    9.8753    1.2561   -9.1726 C   0  0  0  0  0
    9.4288    1.2490  -10.6347 C   0  0  0  0  0
   10.6333    1.2104  -11.5780 C   0  0  0  0  0
   10.1866    1.2272  -13.0376 C   0  0  0  0  0
   11.6390    1.1239  -14.1249 S   0  0  0  0  0
   10.7938    1.3312  -15.7227 C   0  0  0  0  0
   11.7706    1.3205  -16.8382 C   0  0  0  0  0
   12.3829    0.3099  -17.5507 C   0  0  0  0  0
   13.2187    0.9417  -18.5005 C   0  0  0  0  0
   13.0800    2.3008  -18.3041 C   0  0  0  0  0
   12.1782    2.5356  -17.3069 O   0  0  0  0  0
   13.6861    3.4947  -18.9648 C   0  0  0  0  0
   14.9051    3.9893  -18.2952 N   0  0  0  0  0
   15.9959    3.0150  -18.3409 C   0  0  0  0  0
   15.3342    5.2450  -18.9119 C   0  0  0  0  0
    4.5141   -3.1356    1.9902 H   0  0  0  0  0
    2.8521   -2.9515    1.4552 H   0  0  0  0  0
    3.3737   -2.1915    2.9739 H   0  0  0  0  0
    2.0408   -0.8603    0.6587 H   0  0  0  0  0
    3.1090    0.4965    0.3986 H   0  0  0  0  0
    2.6046    0.0809    2.0537 H   0  0  0  0  0
    6.0273   -1.3061    1.9298 H   0  0  0  0  0
    4.9586   -0.2558    2.8552 H   0  0  0  0  0
    4.8955    2.4470    1.8809 H   0  0  0  0  0
    6.3882    3.5979   -0.0977 H   0  0  0  0  0
    8.4761    0.5393   -1.6238 H   0  0  0  0  0
    8.5870    2.3085   -1.5976 H   0  0  0  0  0
    8.9660    0.4895   -4.1220 H   0  0  0  0  0
    9.0804    2.2627   -4.1921 H   0  0  0  0  0
    7.3503    2.2736   -6.0307 H   0  0  0  0  0
    7.2953    0.5061   -5.9732 H   0  0  0  0  0
    9.7299    0.4161   -6.5499 H   0  0  0  0  0
    9.7835    2.1797   -6.5980 H   0  0  0  0  0
    8.0646    2.1716   -8.4328 H   0  0  0  0  0
    8.0464    0.4067   -8.3967 H   0  0  0  0  0
   10.4829    0.3660   -8.9686 H   0  0  0  0  0
   10.5117    2.1305   -8.9887 H   0  0  0  0  0
    8.8275    2.1431  -10.8403 H   0  0  0  0  0
    8.7885    0.3780  -10.8204 H   0  0  0  0  0
   11.2206    0.3069  -11.3713 H   0  0  0  0  0
   11.2785    2.0744  -11.3741 H   0  0  0  0  0
    9.6404    2.1518  -13.2515 H   0  0  0  0  0
    9.5294    0.3765  -13.2449 H   0  0  0  0  0
   10.2369    2.2740  -15.7179 H   0  0  0  0  0
   10.0776    0.5129  -15.8530 H   0  0  0  0  0
   12.2486   -0.7507  -17.3921 H   0  0  0  0  0
   13.8629    0.4690  -19.2282 H   0  0  0  0  0
   12.9276    4.2891  -18.9630 H   0  0  0  0  0
   13.8900    3.2609  -20.0182 H   0  0  0  0  0
   15.7572    2.1223  -17.7538 H   0  0  0  0  0
   16.9045    3.4318  -17.8908 H   0  0  0  0  0
   16.2337    2.7075  -19.3656 H   0  0  0  0  0
   14.5487    6.0045  -18.8321 H   0  0  0  0  0
   15.5878    5.1195  -19.9710 H   0  0  0  0  0
   16.2112    5.6498  -18.3941 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  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 20  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 59  1  0  0  0
 21 60  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 23 61  1  0  0  0
 24 25  2  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 27 28  1  0  0  0
 27 63  1  0  0  0
 27 64  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 65  1  0  0  0
 29 66  1  0  0  0
 29 67  1  0  0  0
 30 68  1  0  0  0
 30 69  1  0  0  0
 30 70  1  0  0  0
M  END

>  <Chemical Name>
BRN 5358078

>  <PubChem CID>
3071777

>  <Formula>
C24H40N2O2S2

>  <Molecular Weight>
452.716000

>  <IUPAC Name>
1-[5-[8-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]octylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C24H40N2O2S2/c1-25(2)17-21-11-13-23(27-21)19-29-15-9-7-5-6-8-10-16-30-20-24-14-12-22(28-24)18-26(3)4/h11-14H,5-10,15-20H2,1-4H3

>  <InChI Key>
CINOACUWPXQJTR-UHFFFAOYSA-N

