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

 47 49  0  0  0  0  0  0  0  0999 V2000
    0.8061    0.5580    0.0226 C   0  0  0  0  0
    2.2133    0.3415   -0.5362 C   0  0  0  0  0
    2.1922   -0.0114   -2.0133 C   0  0  0  0  0
    1.6858    0.8750   -2.9771 C   0  0  0  0  0
    1.7101    0.5493   -4.3385 C   0  0  0  0  0
    2.2351   -0.6731   -4.7578 C   0  0  0  0  0
    2.7362   -1.5613   -3.8042 C   0  0  0  0  0
    2.7201   -1.2349   -2.4456 C   0  0  0  0  0
    2.3180   -1.1128   -6.0490 O   0  0  0  0  0
    1.8232   -0.2416   -7.0577 C   0  0  0  0  0
    3.0340    1.5204   -0.3312 N   0  0  0  0  0
    3.9560    1.6410    0.6791 C   0  0  0  0  0
    4.1589    0.7595    1.5094 O   0  0  0  0  0
    4.8018    2.9184    0.6468 C   0  0  0  0  0
    4.3080    3.9356   -0.2795 N   0  0  0  0  0
    3.6113    5.0287    0.1985 C   0  0  0  0  0
    3.3337    5.2209    1.3770 O   0  0  0  0  0
    3.2061    5.9987   -0.8151 C   0  0  0  0  0
    3.4771    5.6664   -2.1324 C   0  0  0  0  0
    3.0929    6.5567   -3.1454 C   0  0  0  0  0
    2.4610    7.7633   -2.8294 C   0  0  0  0  0
    2.2315    8.0935   -1.4921 C   0  0  0  0  0
    2.5895    7.2073   -0.4782 C   0  0  0  0  0
    2.0664    8.7077   -3.7360 O   0  0  0  0  0
    1.7321    8.2214   -5.0323 C   0  0  0  0  0
    4.1280    4.4800   -2.4915 N   0  0  0  0  0
    4.5515    3.7083   -1.6057 N   0  0  0  0  0
    0.8450    0.7544    1.0993 H   0  0  0  0  0
    0.1793   -0.3255   -0.1394 H   0  0  0  0  0
    0.3073    1.4146   -0.4450 H   0  0  0  0  0
    2.6605   -0.4901    0.0223 H   0  0  0  0  0
    1.2724    1.8360   -2.6796 H   0  0  0  0  0
    1.3145    1.2722   -5.0429 H   0  0  0  0  0
    3.1486   -2.5151   -4.1224 H   0  0  0  0  0
    3.1292   -1.9445   -1.7297 H   0  0  0  0  0
    1.9517   -0.7395   -8.0233 H   0  0  0  0  0
    2.3940    0.6927   -7.0862 H   0  0  0  0  0
    0.7536   -0.0478   -6.9229 H   0  0  0  0  0
    2.9927    2.2643   -1.0172 H   0  0  0  0  0
    5.8234    2.6521    0.3484 H   0  0  0  0  0
    4.8308    3.3239    1.6648 H   0  0  0  0  0
    3.3217    6.2948   -4.1726 H   0  0  0  0  0
    1.7619    9.0423   -1.2420 H   0  0  0  0  0
    2.3978    7.4603    0.5621 H   0  0  0  0  0
    1.2660    9.0421   -5.5849 H   0  0  0  0  0
    1.0057    7.4024   -4.9720 H   0  0  0  0  0
    2.6254    7.9151   -5.5827 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 27  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 26  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 27  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-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349554

>  <Formula>
C19H20N4O4

>  <Molecular Weight>
368.393000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N4O4/c1-12(13-4-6-14(26-2)7-5-13)20-18(24)11-23-19(25)16-9-8-15(27-3)10-17(16)21-22-23/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1

>  <InChI Key>
KZGCQSLARYWBID-LBPRGKRZSA-N

