-ISIS-  08251614332D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.3250   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3125   -2.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8250    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250    1.4167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.3250   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -1.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4458   -2.5625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083   -2.9292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542   -2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1625   -1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1625   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6708   -2.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1583   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1833   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 17  2  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
 21 11  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24  4  1  0  0  0  0
 25  4  1  0  0  0  0
 26 21  1  0  0  0  0
 27 21  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
  9 10  2  0  0  0  0
 28 29  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID> (STK336621)
STK336621

>  <Rotatable_Bonds> (STK336621)
2

>  <logP> (STK336621)
6.063

>  <PSA> (STK336621)
41.57

>  <H_Donors> (STK336621)
1

>  <H_Acceptors> (STK336621)
2

>  <Number_of_rings> (STK336621)
3

>  <NAME> (STK336621)
2-[4-(propan-2-yl)phenoxy]-N-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide

>  <Mol_Weight> (STK336621)
406.45

>  <Mol_Formula> (STK336621)
C22H25F3N2O2

>  <Smiles> (STK336621)
O=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)COc1ccc(cc1)C(C)C

$$$$