
 CHEMBL2391278

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.5670   -1.7550    2.3294 C   0  0  0  0  0
    2.8539   -1.4020    1.6276 C   0  0  0  0  0
    3.1833   -0.1526    1.5497 N   0  0  0  0  0
    4.3656    0.1576    0.9194 N   0  0  0  0  0
    5.2571   -0.7903    0.4387 C   0  0  0  0  0
    6.3494   -0.4936   -0.0492 O   0  0  0  0  0
    4.8109   -2.2114    0.4634 C   0  0  0  0  0
    3.6441   -2.5054    1.0520 C   0  0  0  0  0
    5.7398   -3.1779   -0.2276 C   0  0  0  0  0
    5.2607   -4.6106   -0.3008 C   0  0  0  0  0
    4.4511   -5.0364   -1.3643 C   0  0  0  0  0
    3.9796   -6.3488   -1.4103 C   0  0  0  0  0
    4.3086   -7.2445   -0.3945 C   0  0  0  0  0
    5.1108   -6.8309    0.6674 C   0  0  0  0  0
    5.5845   -5.5197    0.7166 C   0  0  0  0  0
    4.7183    1.5759    0.8730 C   0  0  0  0  0
    4.5509    2.1587   -0.5366 C   0  0  0  0  0
    3.7212    3.0357   -0.7662 O   0  0  0  0  0
    5.4627    1.6470   -1.4480 N   0  0  0  0  0
    5.5941    1.9440   -2.8162 C   0  0  0  0  0
    4.7773    2.8442   -3.5045 C   0  0  0  0  0
    4.9790    3.0774   -4.8687 C   0  0  0  0  0
    5.9952    2.4101   -5.5402 C   0  0  0  0  0
    6.8154    1.5099   -4.8745 C   0  0  0  0  0
    6.6134    1.2759   -3.5128 C   0  0  0  0  0
    6.1866    2.6365   -6.8462 F   0  0  0  0  0
    1.4798   -2.8329    2.4896 H   0  0  0  0  0
    0.7226   -1.4152    1.7233 H   0  0  0  0  0
    1.5328   -1.2540    3.3016 H   0  0  0  0  0
    3.2382   -3.5074    1.1065 H   0  0  0  0  0
    6.7173   -3.1615    0.2721 H   0  0  0  0  0
    5.9234   -2.8303   -1.2537 H   0  0  0  0  0
    4.1821   -4.3478   -2.1630 H   0  0  0  0  0
    3.3551   -6.6734   -2.2391 H   0  0  0  0  0
    3.9419   -8.2668   -0.4321 H   0  0  0  0  0
    5.3683   -7.5308    1.4581 H   0  0  0  0  0
    6.2074   -5.2103    1.5534 H   0  0  0  0  0
    5.7594    1.7057    1.1898 H   0  0  0  0  0
    4.0800    2.1343    1.5668 H   0  0  0  0  0
    6.1099    0.9466   -1.0821 H   0  0  0  0  0
    3.9733    3.3791   -3.0089 H   0  0  0  0  0
    4.3469    3.7766   -5.4059 H   0  0  0  0  0
    7.6044    0.9975   -5.4153 H   0  0  0  0  0
    7.2624    0.5679   -3.0020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  8  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2391278

>  <PubChem CID>
71698881

>  <Formula>
C20H18FN3O2

>  <Molecular Weight>
351.381000

>  <IUPAC Name>
2-(5-benzyl-3-methyl-6-oxopyridazin-1-yl)-N-(4-fluorophenyl)acetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN(C(=O)C(=C1)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC1=NN(C(=O)C(=C1)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C20H18FN3O2/c1-14-11-16(12-15-5-3-2-4-6-15)20(26)24(23-14)13-19(25)22-18-9-7-17(21)8-10-18/h2-11H,12-13H2,1H3,(H,22,25)

>  <InChI Key>
JZDSOBVWSSBOKM-UHFFFAOYSA-N

