
 CID 44443801

 66 70  0  0  0  0  0  0  0  0999 V2000
    5.2802    5.5397   -4.9181 C   0  0  0  0  0
    6.0512    4.6848   -5.9320 C   0  0  0  0  0
    7.2853    3.8381   -5.3861 C   0  0  0  0  0
    7.0706    3.1398   -4.0265 C   0  0  0  0  0
    5.7286    2.4386   -4.0328 C   0  0  0  0  0
    4.9162    2.4909   -5.1117 C   0  0  0  0  0
    5.4770    3.2437   -6.2974 C   0  0  0  0  0
    6.9745    2.8328   -6.5422 C   0  0  0  0  0
    3.5267    1.9192   -5.2362 C   0  0  0  0  0
    2.7876    1.7570   -3.9727 N   0  0  0  0  0
    2.5001    3.0269   -3.2912 C   0  0  0  0  0
    1.4643    3.8990   -3.9952 C   0  0  0  0  0
    0.1636    3.1441   -4.2912 C   0  0  0  0  0
    0.4307    1.7507   -4.8745 C   0  0  0  0  0
    1.5523    0.9868   -4.1639 C   0  0  0  0  0
   -0.7596    3.1602   -3.1484 N   0  0  0  0  0
   -0.7785    2.1866   -2.0927 C   0  0  0  0  0
   -1.7923    2.7884   -1.1430 C   0  0  0  0  0
   -2.1323    2.2117   -0.1172 O   0  0  0  0  0
   -2.2162    4.0010   -1.6425 N   0  0  0  0  0
   -1.5596    4.2588   -2.8322 C   0  0  0  0  0
   -1.5960    5.2709   -3.5193 O   0  0  0  0  0
   -3.1830    4.8552   -1.0295 C   0  0  0  0  0
   -3.8062    5.8904   -1.7474 C   0  0  0  0  0
   -4.7924    6.7130   -1.1703 C   0  0  0  0  0
   -5.1569    6.5039    0.1660 C   0  0  0  0  0
   -4.5525    5.4903    0.9171 C   0  0  0  0  0
   -3.5736    4.6809    0.3088 C   0  0  0  0  0
   -4.9282    5.2510    2.3613 C   0  0  0  0  0
   -5.3664    3.9816    2.5826 F   0  0  0  0  0
   -3.8805    5.4428    3.2082 F   0  0  0  0  0
   -5.9219    6.0705    2.8039 F   0  0  0  0  0
   -5.4729    7.7974   -1.9741 C   0  0  0  0  0
   -6.8194    7.6065   -2.0540 F   0  0  0  0  0
   -5.3030    9.0317   -1.4260 F   0  0  0  0  0
   -5.0334    7.8916   -3.2581 F   0  0  0  0  0
    6.3512    5.5801   -7.1506 C   0  0  0  0  0
    5.0545    5.0221   -3.9850 H   0  0  0  0  0
    4.3261    5.8722   -5.3421 H   0  0  0  0  0
    5.8579    6.4309   -4.6484 H   0  0  0  0  0
    8.2587    4.3348   -5.4498 H   0  0  0  0  0
    7.8658    2.4081   -3.8482 H   0  0  0  0  0
    7.1005    3.8742   -3.2146 H   0  0  0  0  0
    5.4215    1.9181   -3.1295 H   0  0  0  0  0
    4.8381    3.1972   -7.1848 H   0  0  0  0  0
    7.3828    3.0943   -7.5235 H   0  0  0  0  0
    7.2363    1.7836   -6.3646 H   0  0  0  0  0
    3.6451    0.9362   -5.7115 H   0  0  0  0  0
    2.9512    2.5303   -5.9409 H   0  0  0  0  0
    3.4118    3.6110   -3.1369 H   0  0  0  0  0
    2.1579    2.8012   -2.2749 H   0  0  0  0  0
    1.2696    4.7916   -3.3887 H   0  0  0  0  0
    1.8864    4.2623   -4.9406 H   0  0  0  0  0
   -0.3559    3.7190   -5.0698 H   0  0  0  0  0
   -0.4864    1.1497   -4.8712 H   0  0  0  0  0
    0.7098    1.8687   -5.9298 H   0  0  0  0  0
    1.2031    0.6499   -3.1816 H   0  0  0  0  0
    1.7641    0.0603   -4.7132 H   0  0  0  0  0
    0.1902    2.1229   -1.5977 H   0  0  0  0  0
   -1.1287    1.2241   -2.4697 H   0  0  0  0  0
   -3.5665    6.0654   -2.7952 H   0  0  0  0  0
   -5.9226    7.1358    0.6198 H   0  0  0  0  0
   -3.1143    3.9173    0.9340 H   0  0  0  0  0
    6.8940    5.0681   -7.9485 H   0  0  0  0  0
    6.9565    6.4432   -6.8514 H   0  0  0  0  0
    5.4189    5.9560   -7.5870 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  2  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 12 53  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 54  1  0  0  0
 14 15  1  0  0  0
 14 55  1  0  0  0
 14 56  1  0  0  0
 15 57  1  0  0  0
 15 58  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 59  1  0  0  0
 17 60  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 61  1  0  0  0
 25 26  2  0  0  0
 25 33  1  0  0  0
 26 27  1  0  0  0
 26 62  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 28 63  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 37 64  1  0  0  0
 37 65  1  0  0  0
 37 66  1  0  0  0
M  END

>  <Chemical Name>
CID 44443801

>  <PubChem CID>
44443801

>  <Formula>
C26H29F6N3O2

>  <Molecular Weight>
529.527000

>  <IUPAC Name>
3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-[[(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl]piperidin-4-yl]imidazolidine-2,4-dione

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(C2CC=C(C1C2)CN3CCC(CC3)N4CC(=O)N(C4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

>  <Isomeric SMILES>
CC1([C@H]2CC=C([C@@H]1C2)CN3CCC(CC3)N4CC(=O)N(C4=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C26H29F6N3O2/c1-24(2)16-4-3-15(21(24)12-16)13-33-7-5-19(6-8-33)34-14-22(36)35(23(34)37)20-10-17(25(27,28)29)9-18(11-20)26(30,31)32/h3,9-11,16,19,21H,4-8,12-14H2,1-2H3/t16-,21-/m0/s1

>  <InChI Key>
BEPBXYAZDKQJHP-KKSFZXQISA-N

