
 (S)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4H)-yl)-N-(1-p-tolylethyl)acetamide

 45 47  0  0  0  0  0  0  0  0999 V2000
    4.0326    1.0503   -5.0104 C   0  0  0  0  0
    4.7499    0.1143   -4.0834 C   0  0  0  0  0
    5.7299   -0.7513   -4.5797 C   0  0  0  0  0
    6.3697   -1.6582   -3.7315 C   0  0  0  0  0
    6.0361   -1.7257   -2.3695 C   0  0  0  0  0
    5.0533   -0.8553   -1.8776 C   0  0  0  0  0
    4.4121    0.0506   -2.7276 C   0  0  0  0  0
    6.7104   -2.7223   -1.4406 C   0  0  0  0  0
    6.3710   -4.1576   -1.8532 C   0  0  0  0  0
    8.1437   -2.4724   -1.4086 N   0  0  0  0  0
    8.9612   -3.0229   -0.4438 C   0  0  0  0  0
    8.6004   -3.9338    0.2993 O   0  0  0  0  0
   10.4100   -2.5267   -0.4496 C   0  0  0  0  0
   10.5941   -1.1737   -0.9707 N   0  0  0  0  0
   11.7069   -0.8786   -1.7398 C   0  0  0  0  0
   12.5228   -1.7268   -2.0897 O   0  0  0  0  0
   11.8572    0.5329   -2.1359 C   0  0  0  0  0
   12.9310    1.0337   -2.9060 C   0  0  0  0  0
   12.9251    2.3922   -3.2633 C   0  0  0  0  0
   11.8910    3.2313   -2.8569 C   0  0  0  0  0
   10.8579    2.7234   -2.0741 C   0  0  0  0  0
   10.8362    1.3740   -1.7005 C   0  0  0  0  0
    9.7888    0.9518   -0.8764 N   0  0  0  0  0
    9.7332   -0.2310   -0.4946 N   0  0  0  0  0
   14.0844    0.1802   -3.3564 C   0  0  0  0  0
    4.7352    1.5083   -5.7145 H   0  0  0  0  0
    3.5473    1.8619   -4.4585 H   0  0  0  0  0
    3.2674    0.5058   -5.5725 H   0  0  0  0  0
    5.9972   -0.7300   -5.6339 H   0  0  0  0  0
    7.1269   -2.3221   -4.1440 H   0  0  0  0  0
    4.7694   -0.8815   -0.8274 H   0  0  0  0  0
    3.6422    0.7035   -2.3222 H   0  0  0  0  0
    6.3432   -2.5685   -0.4174 H   0  0  0  0  0
    6.8076   -4.4153   -2.8243 H   0  0  0  0  0
    5.2862   -4.2976   -1.9228 H   0  0  0  0  0
    6.7488   -4.8835   -1.1268 H   0  0  0  0  0
    8.4598   -1.5893   -1.7961 H   0  0  0  0  0
   10.9968   -3.2444   -1.0326 H   0  0  0  0  0
   10.7833   -2.5284    0.5802 H   0  0  0  0  0
   13.7337    2.8080   -3.8627 H   0  0  0  0  0
   11.8955    4.2812   -3.1400 H   0  0  0  0  0
   10.0594    3.3848   -1.7439 H   0  0  0  0  0
   14.8469    0.7773   -3.8692 H   0  0  0  0  0
   13.7442   -0.5867   -4.0585 H   0  0  0  0  0
   14.5760   -0.2848   -2.4958 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  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
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 20 21  1  0  0  0
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 25 45  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349795

>  <Formula>
C19H20N4O2

>  <Molecular Weight>
336.395000

>  <IUPAC Name>
2-(5-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)18-13(2)5-4-6-16(18)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1

>  <InChI Key>
QHZHYJGSVMYZHH-AWEZNQCLSA-N

