
 (S)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(p-tolyl)ethyl)acetamide

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.1348    1.2824   -3.3547 C   0  0  0  0  0
    3.0815    0.5967   -2.4150 C   0  0  0  0  0
    4.4088    1.0214   -2.3162 C   0  0  0  0  0
    5.2943    0.3796   -1.4457 C   0  0  0  0  0
    4.8821   -0.7135   -0.6613 C   0  0  0  0  0
    3.5552   -1.1477   -0.7890 C   0  0  0  0  0
    2.6666   -0.5013   -1.6562 C   0  0  0  0  0
    5.8917   -1.3546    0.2821 C   0  0  0  0  0
    5.3266   -2.4164    1.2303 C   0  0  0  0  0
    6.9878   -1.9201   -0.4938 N   0  0  0  0  0
    8.2694   -2.0123    0.0133 C   0  0  0  0  0
    8.5480   -1.7126    1.1719 O   0  0  0  0  0
    9.2897   -2.5658   -0.9836 C   0  0  0  0  0
   10.6147   -2.0557   -0.6833 N   0  0  0  0  0
   10.9040   -0.7389   -0.9751 C   0  0  0  0  0
   10.1274    0.0358   -1.5259 O   0  0  0  0  0
   12.2309   -0.2890   -0.5704 C   0  0  0  0  0
   12.6200    1.0536   -0.6892 C   0  0  0  0  0
   13.8987    1.4474   -0.2830 C   0  0  0  0  0
   14.7625    0.4801    0.2410 C   0  0  0  0  0
   14.3472   -0.8500    0.3477 C   0  0  0  0  0
   13.0707   -1.2564   -0.0466 C   0  0  0  0  0
   12.6858   -2.5953    0.1025 N   0  0  0  0  0
   11.5137   -2.9401   -0.1634 N   0  0  0  0  0
   15.2097   -1.7455    0.8530 F   0  0  0  0  0
   14.3109    2.8883   -0.3375 C   0  0  0  0  0
    2.2806    2.3674   -3.3240 H   0  0  0  0  0
    1.0928    1.0875   -3.0793 H   0  0  0  0  0
    2.2974    0.9284   -4.3773 H   0  0  0  0  0
    4.7624    1.8620   -2.9093 H   0  0  0  0  0
    6.3196    0.7431   -1.3773 H   0  0  0  0  0
    3.1788   -1.9895   -0.2138 H   0  0  0  0  0
    1.6417   -0.8597   -1.7264 H   0  0  0  0  0
    6.2987   -0.5505    0.9104 H   0  0  0  0  0
    4.9520   -3.2876    0.6806 H   0  0  0  0  0
    4.5093   -2.0126    1.8374 H   0  0  0  0  0
    6.0993   -2.7794    1.9168 H   0  0  0  0  0
    6.8011   -2.1638   -1.4577 H   0  0  0  0  0
    9.0185   -2.2686   -2.0022 H   0  0  0  0  0
    9.2835   -3.6591   -0.9164 H   0  0  0  0  0
   11.9166    1.7843   -1.0861 H   0  0  0  0  0
   15.7608    0.7459    0.5794 H   0  0  0  0  0
   15.3690    2.9795   -0.6031 H   0  0  0  0  0
   14.1462    3.3594    0.6368 H   0  0  0  0  0
   13.7357    3.4352   -1.0919 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 24  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 26  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
 26 45  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(p-tolyl)ethyl)acetamide

>  <PubChem CID>
121349767

>  <Formula>
C19H19FN4O2

>  <Molecular Weight>
354.385000

>  <IUPAC Name>
2-(8-fluoro-6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(C)NC(=O)CN2C(=O)C3=CC(=CC(=C3N=N2)F)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=CC(=CC(=C3N=N2)F)C

>  <InChI Std. ID>
InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1

>  <InChI Key>
BFNPBDJFKSZLHJ-ZDUSSCGKSA-N

