
 BRN 5363156

 72 75  0  0  0  0  0  0  0  0999 V2000
    3.0471    3.6806    1.7848 C   0  0  0  0  0
    4.4451    3.9952    2.0846 N   0  0  0  0  0
    4.5110    4.9428    3.1989 C   0  0  0  0  0
    5.2284    2.7880    2.4130 C   0  0  0  0  0
    5.3428    1.8164    1.2847 C   0  0  0  0  0
    4.6447    0.6731    0.9551 C   0  0  0  0  0
    5.2404    0.1643   -0.2218 C   0  0  0  0  0
    6.2693    1.0255   -0.5486 C   0  0  0  0  0
    6.3426    2.0265    0.3794 O   0  0  0  0  0
    7.2937    1.0642   -1.6248 C   0  0  0  0  0
    6.6731    0.4044   -3.2029 S   0  0  0  0  0
    8.1847    0.6153   -4.1877 C   0  0  0  0  0
    7.9900    0.1598   -5.6105 C   0  0  0  0  0
    8.3038   -1.1482   -5.9950 C   0  0  0  0  0
    8.1215   -1.5660   -7.3200 C   0  0  0  0  0
    7.6065   -0.6987   -8.2989 C   0  0  0  0  0
    7.2788    0.6061   -7.8916 C   0  0  0  0  0
    7.4681    1.0315   -6.5717 C   0  0  0  0  0
    7.4163   -1.1360   -9.7010 C   0  0  0  0  0
    6.9453   -2.4226  -10.0147 C   0  0  0  0  0
    6.7682   -2.8351  -11.3424 C   0  0  0  0  0
    7.0536   -1.9672  -12.4016 C   0  0  0  0  0
    7.5201   -0.6819  -12.1036 C   0  0  0  0  0
    7.6990   -0.2767  -10.7765 C   0  0  0  0  0
    6.9037   -2.4134  -13.8350 C   0  0  0  0  0
    5.5573   -1.5453  -14.6975 S   0  0  0  0  0
    5.6428   -2.3829  -16.3121 C   0  0  0  0  0
    6.9201   -2.1336  -17.0260 C   0  0  0  0  0
    8.1122   -2.8243  -17.1078 C   0  0  0  0  0
    8.9673   -2.0550  -17.9319 C   0  0  0  0  0
    8.2374   -0.9555  -18.3318 C   0  0  0  0  0
    6.9843   -1.0066  -17.7919 O   0  0  0  0  0
    8.5387    0.2112  -19.2109 C   0  0  0  0  0
    9.2422    1.3029  -18.5086 N   0  0  0  0  0
    9.6456    2.3262  -19.4763 C   0  0  0  0  0
    8.3867    1.9088  -17.4820 C   0  0  0  0  0
    2.9609    3.0876    0.8687 H   0  0  0  0  0
    2.4771    4.5985    1.6002 H   0  0  0  0  0
    2.5607    3.1359    2.6020 H   0  0  0  0  0
    3.9747    5.8663    2.9531 H   0  0  0  0  0
    5.5483    5.2306    3.4028 H   0  0  0  0  0
    4.0803    4.5298    4.1186 H   0  0  0  0  0
    4.8035    2.2773    3.2874 H   0  0  0  0  0
    6.2483    3.0858    2.6909 H   0  0  0  0  0
    3.8059    0.2619    1.4984 H   0  0  0  0  0
    4.9539   -0.7208   -0.7731 H   0  0  0  0  0
    8.1597    0.4728   -1.3101 H   0  0  0  0  0
    7.6226    2.0962   -1.7864 H   0  0  0  0  0
    8.9996    0.0475   -3.7247 H   0  0  0  0  0
    8.4814    1.6702   -4.1784 H   0  0  0  0  0
    8.6929   -1.8574   -5.2671 H   0  0  0  0  0
    8.3992   -2.5851   -7.5810 H   0  0  0  0  0
    6.8514    1.3113   -8.6017 H   0  0  0  0  0
    7.1932    2.0480   -6.2997 H   0  0  0  0  0
    6.6956   -3.1233   -9.2209 H   0  0  0  0  0
    6.4044   -3.8418  -11.5360 H   0  0  0  0  0
    7.7487    0.0172  -12.9057 H   0  0  0  0  0
    8.0777    0.7268  -10.5942 H   0  0  0  0  0
    6.7062   -3.4904  -13.8755 H   0  0  0  0  0
    7.8564   -2.2326  -14.3420 H   0  0  0  0  0
    4.8068   -2.0178  -16.9191 H   0  0  0  0  0
    5.4837   -3.4563  -16.1668 H   0  0  0  0  0
    8.3444   -3.7576  -16.6144 H   0  0  0  0  0
    9.9912   -2.2684  -18.2059 H   0  0  0  0  0
    7.6138    0.5740  -19.6779 H   0  0  0  0  0
    9.1766   -0.1583  -20.0251 H   0  0  0  0  0
   10.3378    1.9059  -20.2143 H   0  0  0  0  0
   10.1803    3.1421  -18.9773 H   0  0  0  0  0
    8.7883    2.7526  -20.0103 H   0  0  0  0  0
    8.1725    1.2012  -16.6745 H   0  0  0  0  0
    7.4367    2.2687  -17.8936 H   0  0  0  0  0
    8.8963    2.7569  -17.0099 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  7  8  2  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 10 48  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 49  1  0  0  0
 12 50  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 51  1  0  0  0
 15 16  2  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 53  1  0  0  0
 18 54  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 21 22  2  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 57  1  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 30 31  2  0  0  0
 30 64  1  0  0  0
 31 32  1  0  0  0
 31 33  1  0  0  0
 33 34  1  0  0  0
 33 65  1  0  0  0
 33 66  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 35 67  1  0  0  0
 35 68  1  0  0  0
 35 69  1  0  0  0
 36 70  1  0  0  0
 36 71  1  0  0  0
 36 72  1  0  0  0
M  END

>  <Chemical Name>
BRN 5363156

>  <PubChem CID>
3071780

>  <Formula>
C30H36N2O2S2

>  <Molecular Weight>
520.750000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCC2=CC=C(C=C2)C3=CC=C(C=C3)CSCC4=CC=C(O4)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCC2=CC=C(C=C2)C3=CC=C(C=C3)CSCC4=CC=C(O4)CN(C)C

>  <InChI Std. ID>
InChI=1S/C30H36N2O2S2/c1-31(2)17-27-13-15-29(33-27)21-35-19-23-5-9-25(10-6-23)26-11-7-24(8-12-26)20-36-22-30-16-14-28(34-30)18-32(3)4/h5-16H,17-22H2,1-4H3

>  <InChI Key>
RVVWDYHZWLAHCI-UHFFFAOYSA-N

