
 (S)-2-(8-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.3987    0.7317    1.8913 C   0  0  0  0  0
    2.7423    1.1921    0.4714 C   0  0  0  0  0
    2.0850    2.4908    0.0369 C   0  0  0  0  0
    1.6447    3.4766    0.9325 C   0  0  0  0  0
    1.0865    4.6786    0.4703 C   0  0  0  0  0
    0.9843    4.9249   -0.8978 C   0  0  0  0  0
    1.3915    3.9381   -1.7960 C   0  0  0  0  0
    1.9418    2.7397   -1.3374 C   0  0  0  0  0
    0.5170    6.0633   -1.4844 O   0  0  0  0  0
    0.4387    7.2322   -0.6865 C   0  0  0  0  0
    0.3254    8.3032   -1.5041 F   0  0  0  0  0
   -0.6498    7.1920    0.1100 F   0  0  0  0  0
    1.5441    7.4068    0.0703 F   0  0  0  0  0
    4.1830    1.3010    0.3058 N   0  0  0  0  0
    4.9776    0.1942    0.0840 C   0  0  0  0  0
    4.5309   -0.9446    0.0127 O   0  0  0  0  0
    6.4629    0.4973   -0.0815 C   0  0  0  0  0
    6.6959    1.0595   -1.4000 N   0  0  0  0  0
    6.5923    2.4203   -1.5937 C   0  0  0  0  0
    6.3197    3.2197   -0.7036 O   0  0  0  0  0
    6.7987    2.8759   -2.9656 C   0  0  0  0  0
    7.0113    1.8910   -3.9205 C   0  0  0  0  0
    7.1795    2.2861   -5.2629 C   0  0  0  0  0
    7.1252    3.6437   -5.6087 C   0  0  0  0  0
    6.9218    4.6151   -4.6256 C   0  0  0  0  0
    6.7578    4.2337   -3.2980 C   0  0  0  0  0
    7.3458    1.2704   -6.1727 O   0  0  0  0  0
    7.9369    1.6092   -7.4202 C   0  0  0  0  0
    7.0679    0.5289   -3.5848 N   0  0  0  0  0
    6.9183    0.1626   -2.4015 N   0  0  0  0  0
    2.8150   -0.2625    2.0887 H   0  0  0  0  0
    1.3145    0.6728    2.0362 H   0  0  0  0  0
    2.8135    1.4049    2.6494 H   0  0  0  0  0
    2.3858    0.4012   -0.2037 H   0  0  0  0  0
    1.7339    3.3348    2.0075 H   0  0  0  0  0
    0.7519    5.3991    1.2110 H   0  0  0  0  0
    1.2993    4.1065   -2.8668 H   0  0  0  0  0
    2.2737    1.9986   -2.0632 H   0  0  0  0  0
    4.6095    2.2260    0.3065 H   0  0  0  0  0
    7.0395   -0.4264    0.0365 H   0  0  0  0  0
    6.7799    1.1980    0.6990 H   0  0  0  0  0
    7.2195    3.9732   -6.6388 H   0  0  0  0  0
    6.8785    5.6670   -4.8997 H   0  0  0  0  0
    6.5908    4.9856   -2.5295 H   0  0  0  0  0
    8.1186    0.6779   -7.9657 H   0  0  0  0  0
    8.9013    2.1079   -7.2771 H   0  0  0  0  0
    7.2613    2.2194   -8.0275 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 30  1  0  0  0
 18 19  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 29  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 28 47  1  0  0  0
 29 30  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(8-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide

>  <PubChem CID>
121349701

>  <Formula>
C19H17F3N4O4

>  <Molecular Weight>
422.364000

>  <IUPAC Name>
2-(8-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)14-4-3-5-15(29-2)17(14)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1

>  <InChI Key>
RZIPXHMOCWWGGT-NSHDSACASA-N

