-ISIS-  08251615082D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.1583   -1.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0125   -1.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2958    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -2.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417    2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 25  1  0  0  0  0
 25 17  1  0  0  0  0
  5  2  2  0  0  0  0
 24 16  1  0  0  0  0
M  END
>  <ID> (STL483906)
STL483906

>  <SALTDATA> (STL483906)
HCI

>  <Rotatable_Bonds> (STL483906)
3

>  <logP> (STL483906)
5.788

>  <PSA> (STL483906)
61.69

>  <H_Donors> (STL483906)
2

>  <H_Acceptors> (STL483906)
2

>  <Number_of_rings> (STL483906)
2

>  <NAME> (STL483906)
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(3,4,5,6-tetrahydropyridin-2-ylamino)ethanone

>  <Mol_Weight> (STL483906)
344.50

>  <Mol_Formula> (STL483906)
C21H32N2O2

>  <Smiles> (STL483906)
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CNC1=NCCCC1

$$$$