
 (S)-2-(7-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethyl)phenyl)ethyl)acetamide

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.0444    0.4185    0.3564 C   0  0  0  0  0
    2.1330    0.5380   -0.7145 C   0  0  0  0  0
    1.6102    0.7346   -2.1266 C   0  0  0  0  0
    0.4571    1.4781   -2.4137 C   0  0  0  0  0
    0.0395    1.6674   -3.7351 C   0  0  0  0  0
    0.7725    1.1290   -4.8014 C   0  0  0  0  0
    1.9321    0.3948   -4.5189 C   0  0  0  0  0
    2.3465    0.2044   -3.1990 C   0  0  0  0  0
    0.3438    1.3370   -6.2323 C   0  0  0  0  0
    1.2824    1.9969   -6.9667 F   0  0  0  0  0
    0.1173    0.1632   -6.8853 F   0  0  0  0  0
   -0.8039    2.0606   -6.3596 F   0  0  0  0  0
    3.0531    1.6146   -0.3946 N   0  0  0  0  0
    4.0924    1.4506    0.4943 C   0  0  0  0  0
    4.3549    0.3740    1.0258 O   0  0  0  0  0
    4.9415    2.6945    0.7219 C   0  0  0  0  0
    4.1648    3.7216    1.3983 N   0  0  0  0  0
    3.4452    4.6415    0.6652 C   0  0  0  0  0
    3.3552    4.6263   -0.5597 O   0  0  0  0  0
    2.7483    5.6565    1.4474 C   0  0  0  0  0
    2.7848    5.4988    2.8255 C   0  0  0  0  0
    2.1011    6.4237    3.6254 C   0  0  0  0  0
    1.4077    7.4914    3.0493 C   0  0  0  0  0
    1.4206    7.6519    1.6613 C   0  0  0  0  0
    2.0805    6.7285    0.8517 C   0  0  0  0  0
    0.7141    8.4486    3.7363 O   0  0  0  0  0
    0.2739    8.0882    5.0418 C   0  0  0  0  0
    3.4767    4.4532    3.4475 N   0  0  0  0  0
    4.1401    3.6477    2.7613 N   0  0  0  0  0
    1.4834    0.1541    1.3253 H   0  0  0  0  0
    0.3169   -0.3579    0.0955 H   0  0  0  0  0
    0.5050    1.3608    0.5012 H   0  0  0  0  0
    2.6928   -0.4067   -0.6899 H   0  0  0  0  0
   -0.1299    1.9288   -1.6169 H   0  0  0  0  0
   -0.8620    2.2480   -3.9271 H   0  0  0  0  0
    2.5244   -0.0272   -5.3297 H   0  0  0  0  0
    3.2596   -0.3582   -3.0079 H   0  0  0  0  0
    2.8907    2.5327   -0.8038 H   0  0  0  0  0
    5.3006    3.0607   -0.2464 H   0  0  0  0  0
    5.8122    2.4365    1.3338 H   0  0  0  0  0
    2.1402    6.2920    4.7030 H   0  0  0  0  0
    0.9013    8.4949    1.2106 H   0  0  0  0  0
    2.0764    6.8479   -0.2288 H   0  0  0  0  0
   -0.3908    8.8799    5.4002 H   0  0  0  0  0
    1.1153    8.0205    5.7382 H   0  0  0  0  0
   -0.2984    7.1541    5.0222 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 29  1  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 28  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
 27 44  1  0  0  0
 27 45  1  0  0  0
 27 46  1  0  0  0
 28 29  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(7-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethyl)phenyl)ethyl)acetamide

>  <PubChem CID>
121349773

>  <Formula>
C19H17F3N4O3

>  <Molecular Weight>
406.365000

>  <IUPAC Name>
2-(7-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]acetamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C19H17F3N4O3/c1-11(12-3-5-13(6-4-12)19(20,21)22)23-17(27)10-26-18(28)15-8-7-14(29-2)9-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1

>  <InChI Key>
GMJKPWYOVYYMIA-NSHDSACASA-N

