
 CHEMBL3943742

 58 60  0  0  0  0  0  0  0  0999 V2000
    0.0165    0.0023   -1.0119 C   0  0  0  0  0
    0.5892    0.9478    0.0395 C   0  0  0  0  0
    1.7557    1.8042   -0.4725 C   0  0  0  0  0
    1.2959    2.8824   -1.4586 C   0  0  0  0  0
    0.4503    2.7259   -2.3257 O   0  0  0  0  0
    2.0177    4.0432   -1.1907 N   0  0  0  0  0
    3.0695    3.7923   -0.2415 C   0  0  0  0  0
    2.5313    2.6215    0.6030 C   0  0  0  0  0
    1.6477    3.1792    1.7335 C   0  0  0  0  0
    3.7350    1.8505    1.1744 C   0  0  0  0  0
    4.8795    2.1296    0.8279 O   0  0  0  0  0
    3.4144    0.8396    2.0653 N   0  0  0  0  0
    4.3130    0.0061    2.7713 C   0  0  0  0  0
    3.7597   -1.0010    3.5734 C   0  0  0  0  0
    4.5766   -1.8861    4.2997 C   0  0  0  0  0
    5.9703   -1.7468    4.2191 C   0  0  0  0  0
    6.5444   -0.7396    3.4319 C   0  0  0  0  0
    5.7030    0.1317    2.7176 C   0  0  0  0  0
    8.0430   -0.5687    3.3400 C   0  0  0  0  0
    8.4948   -0.5846    2.0566 F   0  0  0  0  0
    8.4655    0.6081    3.8772 F   0  0  0  0  0
    8.7359   -1.5452    3.9902 F   0  0  0  0  0
    3.9794   -2.9913    5.1388 C   0  0  0  0  0
    4.2616   -4.2259    4.6413 F   0  0  0  0  0
    4.4447   -2.9843    6.4176 F   0  0  0  0  0
    2.6225   -2.9255    5.2333 F   0  0  0  0  0
    2.1088    5.1400   -2.0743 C   0  0  0  0  0
    1.6706    6.4028   -1.6168 C   0  0  0  0  0
    1.7793    7.5164   -2.4628 C   0  0  0  0  0
    2.3034    7.3830   -3.7449 C   0  0  0  0  0
    2.7326    6.1377   -4.1954 C   0  0  0  0  0
    2.6511    5.0028   -3.3712 C   0  0  0  0  0
    3.1803    3.6986   -3.9027 C   0  0  0  0  0
    1.0543    6.5859   -0.2562 C   0  0  0  0  0
   -0.6891   -0.6921   -0.5435 H   0  0  0  0  0
    0.8049   -0.5871   -1.4894 H   0  0  0  0  0
   -0.5323    0.5417   -1.7882 H   0  0  0  0  0
    0.9252    0.3286    0.8760 H   0  0  0  0  0
   -0.2235    1.5829    0.4110 H   0  0  0  0  0
    2.4627    1.1624   -1.0168 H   0  0  0  0  0
    3.9677    3.5289   -0.8131 H   0  0  0  0  0
    3.2901    4.6816    0.3571 H   0  0  0  0  0
    0.8415    3.8107    1.3446 H   0  0  0  0  0
    2.2430    3.7880    2.4241 H   0  0  0  0  0
    1.1808    2.3891    2.3294 H   0  0  0  0  0
    2.4348    0.6682    2.2456 H   0  0  0  0  0
    2.6782   -1.1166    3.6360 H   0  0  0  0  0
    6.6127   -2.4326    4.7747 H   0  0  0  0  0
    6.1791    0.9088    2.1245 H   0  0  0  0  0
    1.4418    8.4956   -2.1315 H   0  0  0  0  0
    2.3748    8.2507   -4.3958 H   0  0  0  0  0
    3.1420    6.0576   -5.2007 H   0  0  0  0  0
    3.9449    3.2927   -3.2331 H   0  0  0  0  0
    3.6529    3.8295   -4.8827 H   0  0  0  0  0
    2.3757    2.9712   -4.0316 H   0  0  0  0  0
    0.2229    5.8875   -0.1162 H   0  0  0  0  0
    0.6504    7.5963   -0.1311 H   0  0  0  0  0
    1.7998    6.4318    0.5287 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 49  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 34  1  0  0  0
 29 30  2  0  0  0
 29 50  1  0  0  0
 30 31  1  0  0  0
 30 51  1  0  0  0
 31 32  2  0  0  0
 31 52  1  0  0  0
 32 33  1  0  0  0
 33 53  1  0  0  0
 33 54  1  0  0  0
 33 55  1  0  0  0
 34 56  1  0  0  0
 34 57  1  0  0  0
 34 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3943742

>  <PubChem CID>
51033452

>  <Formula>
C24H24F6N2O2

>  <Molecular Weight>
486.458000

>  <IUPAC Name>
(3S,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-4-ethyl-3-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1C(=O)N(CC1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
CC[C@@H]1C(=O)N(C[C@@]1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C24H24F6N2O2/c1-5-18-20(33)32(19-13(2)7-6-8-14(19)3)12-22(18,4)21(34)31-17-10-15(23(25,26)27)9-16(11-17)24(28,29)30/h6-11,18H,5,12H2,1-4H3,(H,31,34)/t18-,22-/m1/s1

>  <InChI Key>
KOTKRADTFVZNPE-XMSQKQJNSA-N

