
 (S)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

 48 50  0  0  0  0  0  0  0  0999 V2000
    6.4469   -0.9481   -7.2484 C   0  0  0  0  0
    6.7627   -0.9896   -5.7829 C   0  0  0  0  0
    7.2198   -2.1714   -5.1911 C   0  0  0  0  0
    7.4589   -2.2311   -3.8153 C   0  0  0  0  0
    7.2565   -1.1054   -3.0014 C   0  0  0  0  0
    6.7869    0.0736   -3.6010 C   0  0  0  0  0
    6.5361    0.1287   -4.9747 C   0  0  0  0  0
    7.4473   -1.1531   -1.4923 C   0  0  0  0  0
    6.1542   -1.6544   -0.8402 C   0  0  0  0  0
    8.5954   -1.9673   -1.1183 N   0  0  0  0  0
    9.0798   -2.0003    0.1732 C   0  0  0  0  0
    8.6078   -1.3119    1.0772 O   0  0  0  0  0
   10.3559   -2.8172    0.3800 C   0  0  0  0  0
   10.3273   -4.1097   -0.2939 N   0  0  0  0  0
   10.6807   -4.2073   -1.6213 C   0  0  0  0  0
   10.9467   -3.2383   -2.3279 O   0  0  0  0  0
   10.6872   -5.5558   -2.1772 C   0  0  0  0  0
   11.0726   -5.7963   -3.5012 C   0  0  0  0  0
   11.0694   -7.1015   -3.9973 C   0  0  0  0  0
   10.6531   -8.1421   -3.1581 C   0  0  0  0  0
   10.2688   -7.8928   -1.8272 C   0  0  0  0  0
   10.2872   -6.5760   -1.3270 C   0  0  0  0  0
    9.8957   -6.3307   -0.0023 N   0  0  0  0  0
    9.9336   -5.1724    0.4644 N   0  0  0  0  0
    9.8280   -9.0361   -0.9539 C   0  0  0  0  0
   11.4512   -7.3695   -5.4232 C   0  0  0  0  0
    7.1425   -1.5762   -7.8145 H   0  0  0  0  0
    6.5343    0.0703   -7.6411 H   0  0  0  0  0
    5.4264   -1.3047   -7.4202 H   0  0  0  0  0
    7.3825   -3.0603   -5.7965 H   0  0  0  0  0
    7.7912   -3.1727   -3.3838 H   0  0  0  0  0
    6.5926    0.9569   -2.9955 H   0  0  0  0  0
    6.1538    1.0505   -5.4075 H   0  0  0  0  0
    7.6586   -0.1388   -1.1292 H   0  0  0  0  0
    5.9344   -2.6876   -1.1330 H   0  0  0  0  0
    5.2989   -1.0345   -1.1326 H   0  0  0  0  0
    6.2163   -1.6310    0.2520 H   0  0  0  0  0
    9.2716   -2.1755   -1.8507 H   0  0  0  0  0
   10.4966   -2.9849    1.4539 H   0  0  0  0  0
   11.2004   -2.2272    0.0079 H   0  0  0  0  0
   11.3752   -4.9663   -4.1373 H   0  0  0  0  0
   10.6283   -9.1611   -3.5426 H   0  0  0  0  0
   10.4505   -9.0913   -0.0550 H   0  0  0  0  0
    9.9165   -9.9958   -1.4741 H   0  0  0  0  0
    8.7797   -8.9089   -0.6652 H   0  0  0  0  0
   11.7552   -8.4123   -5.5617 H   0  0  0  0  0
   12.2980   -6.7417   -5.7201 H   0  0  0  0  0
   10.6034   -7.1612   -6.0830 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
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  5  8  1  0  0  0
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  7 33  1  0  0  0
  8 10  1  0  0  0
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  8 34  1  0  0  0
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  9 37  1  0  0  0
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 26 48  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349671

>  <Formula>
C20H22N4O2

>  <Molecular Weight>
350.422000

>  <IUPAC Name>
2-(6,8-dimethyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1

>  <InChI Key>
XXTTXUGTXWCPFU-HNNXBMFYSA-N

