
 SNAP-7915

 62 65  0  0  0  0  0  0  0  0999 V2000
    2.7977   -3.0177   -1.2878 C   0  0  0  0  0
    3.7198   -2.0644   -0.5533 C   0  0  0  0  0
    4.1787   -0.8071   -1.2887 C   0  0  0  0  0
    4.4814    0.0469   -0.1692 N   0  0  0  0  0
    3.7735   -0.3922    0.9385 C   0  0  0  0  0
    3.6636    0.1854    2.0089 O   0  0  0  0  0
    3.1131   -1.5609    0.6437 O   0  0  0  0  0
    5.6339    0.8093   -0.1606 C   0  0  0  0  0
    6.3206    0.9572   -1.1695 O   0  0  0  0  0
    6.0237    1.2666    1.0715 N   0  0  0  0  0
    7.2600    2.0001    1.2846 C   0  0  0  0  0
    7.9647    1.5187    2.5522 C   0  0  0  0  0
    9.3160    2.2110    2.7814 C   0  0  0  0  0
    9.2433    3.6808    2.8411 N   0  0  0  0  0
   10.5975    4.2575    2.8261 C   0  0  0  0  0
   10.5257    5.7769    2.6941 C   0  0  0  0  0
    9.7137    6.4347    3.8193 C   0  0  0  0  0
    8.3968    5.6775    4.0611 C   0  0  0  0  0
    8.5101    4.1501    4.0237 C   0  0  0  0  0
   10.5752    6.7267    5.0442 C   0  0  0  0  0
   11.3766    7.8871    5.0297 C   0  0  0  0  0
   12.1866    8.2205    6.1167 C   0  0  0  0  0
   12.2085    7.3921    7.2280 C   0  0  0  0  0
   11.4363    6.2398    7.2692 C   0  0  0  0  0
   10.6221    5.9085    6.1815 C   0  0  0  0  0
   12.9830    7.7074    8.2742 F   0  0  0  0  0
    3.1755   -0.1787   -2.2514 C   0  0  0  0  0
    3.5429   -0.0059   -3.5992 C   0  0  0  0  0
    2.6288    0.4942   -4.5253 C   0  0  0  0  0
    1.3449    0.8391   -4.1302 C   0  0  0  0  0
    0.9641    0.7037   -2.8010 C   0  0  0  0  0
    1.8762    0.2042   -1.8633 C   0  0  0  0  0
    0.4603    1.2973   -5.0265 F   0  0  0  0  0
    2.9975    0.6210   -5.8074 F   0  0  0  0  0
    2.5928   -3.8911   -0.6589 H   0  0  0  0  0
    3.2552   -3.3643   -2.2193 H   0  0  0  0  0
    1.8241   -2.5722   -1.5080 H   0  0  0  0  0
    4.6021   -2.6347   -0.2288 H   0  0  0  0  0
    5.0936   -1.0457   -1.8455 H   0  0  0  0  0
    5.3136    1.3068    1.7993 H   0  0  0  0  0
    6.9892    3.0578    1.3578 H   0  0  0  0  0
    7.9198    1.8766    0.4193 H   0  0  0  0  0
    8.1430    0.4378    2.4757 H   0  0  0  0  0
    7.3087    1.6466    3.4212 H   0  0  0  0  0
    9.9703    1.9184    1.9494 H   0  0  0  0  0
    9.7765    1.8101    3.6940 H   0  0  0  0  0
   11.1541    3.8770    1.9605 H   0  0  0  0  0
   11.1624    3.9730    3.7229 H   0  0  0  0  0
   11.5408    6.1887    2.6393 H   0  0  0  0  0
   10.0472    6.0165    1.7343 H   0  0  0  0  0
    9.4063    7.4263    3.4535 H   0  0  0  0  0
    7.9286    5.9934    5.0010 H   0  0  0  0  0
    7.6983    5.9683    3.2632 H   0  0  0  0  0
    8.9738    3.7672    4.9379 H   0  0  0  0  0
    7.4858    3.7616    4.0126 H   0  0  0  0  0
   11.3684    8.5465    4.1631 H   0  0  0  0  0
   12.7951    9.1186    6.1014 H   0  0  0  0  0
   11.4690    5.6050    8.1490 H   0  0  0  0  0
   10.0310    5.0038    6.2552 H   0  0  0  0  0
    4.5396   -0.2640   -3.9498 H   0  0  0  0  0
   -0.0440    0.9782   -2.5036 H   0  0  0  0  0
    1.5431    0.0986   -0.8320 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  7  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 15 48  1  0  0  0
 16 17  1  0  0  0
 16 49  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 22 23  2  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 58  1  0  0  0
 25 59  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 33  1  0  0  0
 31 32  2  0  0  0
 31 61  1  0  0  0
 32 62  1  0  0  0
M  END

>  <Chemical Name>
SNAP-7915

>  <PubChem CID>
9830741

>  <Formula>
C25H28F3N3O3

>  <Molecular Weight>
475.512000

>  <IUPAC Name>
(4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1C(N(C(=O)O1)C(=O)NCCCN2CCC(CC2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
C[C@H]1[C@@H](N(C(=O)O1)C(=O)NCCCN2CCC(CC2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1

>  <InChI Key>
DTYAFBJXWWLRMA-QMHKHESXSA-N

