
 (S)-2-(5-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
    2.9871   -0.7897    1.0326 C   0  0  0  0  0
    2.7874   -0.0276   -0.2823 C   0  0  0  0  0
    1.3110   -0.0435   -0.6542 C   0  0  0  0  0
    0.8326   -1.0267   -1.5291 C   0  0  0  0  0
   -0.5292   -1.1057   -1.8315 C   0  0  0  0  0
   -1.4412   -0.2141   -1.2626 C   0  0  0  0  0
   -0.9715    0.7900   -0.4183 C   0  0  0  0  0
    0.3912    0.8623   -0.1028 C   0  0  0  0  0
   -2.7433   -0.4361   -1.6071 O   0  0  0  0  0
   -3.7391    0.1755   -0.8053 C   0  0  0  0  0
   -3.8106    1.5005   -1.0571 F   0  0  0  0  0
   -4.9365   -0.3754   -1.1056 F   0  0  0  0  0
   -3.5128   -0.0179    0.5126 F   0  0  0  0  0
    3.2958    1.3287   -0.1864 N   0  0  0  0  0
    4.6424    1.6191   -0.1136 C   0  0  0  0  0
    5.5164    0.7713   -0.2805 O   0  0  0  0  0
    4.9722    3.1045    0.0621 C   0  0  0  0  0
    4.1145    3.6973    1.0865 N   0  0  0  0  0
    2.8645    4.1795    0.7415 C   0  0  0  0  0
    2.4642    4.1622   -0.4199 O   0  0  0  0  0
    2.0042    4.5879    1.8596 C   0  0  0  0  0
    2.5355    4.3552    3.1234 C   0  0  0  0  0
    1.7434    4.6135    4.2483 C   0  0  0  0  0
    0.4475    5.1061    4.1104 C   0  0  0  0  0
   -0.0692    5.3546    2.8395 C   0  0  0  0  0
    0.6986    5.0897    1.7002 C   0  0  0  0  0
    0.2560    5.3446    0.4316 O   0  0  0  0  0
   -1.1491    5.3154    0.2140 C   0  0  0  0  0
    3.8268    3.8616    3.3374 N   0  0  0  0  0
    4.5452    3.5464    2.3693 N   0  0  0  0  0
    4.0461   -0.8485    1.3042 H   0  0  0  0  0
    2.6058   -1.8145    0.9570 H   0  0  0  0  0
    2.4645   -0.3002    1.8633 H   0  0  0  0  0
    3.3642   -0.5253   -1.0711 H   0  0  0  0  0
    1.5139   -1.7516   -1.9685 H   0  0  0  0  0
   -0.8801   -1.8869   -2.5022 H   0  0  0  0  0
   -1.6329    1.5298    0.0237 H   0  0  0  0  0
    0.7211    1.6350    0.5901 H   0  0  0  0  0
    2.6896    2.0884   -0.4875 H   0  0  0  0  0
    4.8321    3.6112   -0.8982 H   0  0  0  0  0
    6.0172    3.2098    0.3724 H   0  0  0  0  0
    2.1437    4.4232    5.2422 H   0  0  0  0  0
   -0.1557    5.3052    4.9935 H   0  0  0  0  0
   -1.0708    5.7680    2.7676 H   0  0  0  0  0
   -1.3189    5.3243   -0.8670 H   0  0  0  0  0
   -1.6295    6.2053    0.6319 H   0  0  0  0  0
   -1.5955    4.3996    0.6159 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 22  2  0  0  0
 21 26  1  0  0  0
 22 29  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 44  1  0  0  0
 26 27  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-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide

>  <PubChem CID>
121349719

>  <Formula>
C19H17F3N4O4

>  <Molecular Weight>
422.364000

>  <IUPAC Name>
2-(5-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=C3OC)N=N2

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)OC(F)(F)F)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)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)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1

>  <InChI Key>
LHFAZQQRCGGNJS-NSHDSACASA-N

