
 CHEMBL3741349

 40 42  0  0  0  0  0  0  0  0999 V2000
   -0.6069    1.4019    1.1135 C   0  0  0  0  0
   -1.3597    0.4295    0.4698 C   0  0  0  0  0
   -0.6963   -0.4928   -0.3194 C   0  0  0  0  0
    0.6420   -0.5072   -0.4965 N   0  0  0  0  0
    1.3801    0.4564    0.1281 C   0  0  0  0  0
    0.7752    1.4219    0.9375 C   0  0  0  0  0
    2.8452    0.4314   -0.0860 C   0  0  0  0  0
    3.5172    1.6025   -0.0085 N   0  0  0  0  0
    4.8538    1.5653   -0.2138 C   0  0  0  0  0
    5.5267    0.3819   -0.4437 C   0  0  0  0  0
    4.7567   -0.7547   -0.4691 C   0  0  0  0  0
    3.4286   -0.7603   -0.3109 N   0  0  0  0  0
    5.4254   -1.9499   -0.6320 O   0  0  0  0  0
    4.5603   -3.0984   -0.6316 C   0  0  0  0  0
    5.3468   -4.3779   -0.3782 C   0  0  0  0  0
    4.8959   -5.0120    0.7313 F   0  0  0  0  0
    5.2213   -5.2426   -1.4122 F   0  0  0  0  0
    6.6684   -4.1542   -0.1994 F   0  0  0  0  0
    5.6074    2.8766   -0.1763 C   0  0  0  0  0
    6.2123    3.0919   -1.4543 O   0  0  0  0  0
    6.9142    4.2524   -1.6342 C   0  0  0  0  0
    7.1575    5.2494   -0.6841 C   0  0  0  0  0
    7.9024    6.3764   -1.0198 C   0  0  0  0  0
    8.4114    6.5183   -2.3031 C   0  0  0  0  0
    8.1813    5.5406   -3.2639 C   0  0  0  0  0
    7.4328    4.4097   -2.9273 C   0  0  0  0  0
    9.1323    7.5998   -2.6272 F   0  0  0  0  0
    8.1316    7.3242   -0.0991 F   0  0  0  0  0
    6.6898    5.1459    0.5686 F   0  0  0  0  0
   -1.0887    2.1405    1.7476 H   0  0  0  0  0
   -2.4375    0.3907    0.5784 H   0  0  0  0  0
   -1.2397   -1.2708   -0.8487 H   0  0  0  0  0
    1.3759    2.1769    1.4370 H   0  0  0  0  0
    6.5975    0.3436   -0.5936 H   0  0  0  0  0
    4.0634   -3.1582   -1.6073 H   0  0  0  0  0
    3.7958   -3.0269    0.1515 H   0  0  0  0  0
    6.3721    2.8126    0.6069 H   0  0  0  0  0
    4.9013    3.6848    0.0486 H   0  0  0  0  0
    8.5841    5.6624   -4.2651 H   0  0  0  0  0
    7.2503    3.6434   -3.6791 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 33  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 29  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3741349

>  <PubChem CID>
127038403

>  <Formula>
C18H11F6N3O2

>  <Molecular Weight>
415.295000

>  <IUPAC Name>
2-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC=NC(=C1)C2=NC(=CC(=N2)OCC(F)(F)F)COC3=C(C(=C(C=C3)F)F)F

>  <Isomeric SMILES>
C1=CC=NC(=C1)C2=NC(=CC(=N2)OCC(F)(F)F)COC3=C(C(=C(C=C3)F)F)F

>  <InChI Std. ID>
InChI=1S/C18H11F6N3O2/c19-11-4-5-13(16(21)15(11)20)28-8-10-7-14(29-9-18(22,23)24)27-17(26-10)12-3-1-2-6-25-12/h1-7H,8-9H2

>  <InChI Key>
AUAOGLNQKWNYCN-UHFFFAOYSA-N

