
 (S)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.4429   -1.1614    1.1582 C   0  0  0  0  0
    3.1215   -0.2023    0.0048 C   0  0  0  0  0
    1.6469    0.1470   -0.1183 C   0  0  0  0  0
    0.7741    0.1796    0.9798 C   0  0  0  0  0
   -0.5814    0.4958    0.8143 C   0  0  0  0  0
   -1.0827    0.7963   -0.4509 C   0  0  0  0  0
   -0.2143    0.8137   -1.5408 C   0  0  0  0  0
    1.1348    0.4886   -1.3795 C   0  0  0  0  0
   -2.3809    1.1183   -0.7331 O   0  0  0  0  0
   -3.3543    0.6260    0.1812 C   0  0  0  0  0
    3.9029    1.0203    0.1017 N   0  0  0  0  0
    5.2512    1.0542   -0.1817 C   0  0  0  0  0
    5.8869    0.0423   -0.4734 O   0  0  0  0  0
    5.9494    2.3836    0.0959 C   0  0  0  0  0
    5.1672    3.5393   -0.3193 N   0  0  0  0  0
    5.3815    4.0910   -1.5660 C   0  0  0  0  0
    6.1736    3.6571   -2.3957 O   0  0  0  0  0
    4.6012    5.2881   -1.8645 C   0  0  0  0  0
    3.7115    5.7083   -0.8865 C   0  0  0  0  0
    2.9614    6.8656   -1.1508 C   0  0  0  0  0
    3.1099    7.5692   -2.3542 C   0  0  0  0  0
    4.0140    7.1250   -3.3171 C   0  0  0  0  0
    4.7645    5.9790   -3.0739 C   0  0  0  0  0
    1.8251    7.4755    0.0022 Cl  0  0  0  0  0
    3.5570    5.0178    0.3263 N   0  0  0  0  0
    4.2632    4.0204    0.5809 N   0  0  0  0  0
    4.4873   -1.4886    1.1189 H   0  0  0  0  0
    2.8152   -2.0582    1.1117 H   0  0  0  0  0
    3.2980   -0.6886    2.1357 H   0  0  0  0  0
    3.4251   -0.7148   -0.9183 H   0  0  0  0  0
    1.1274   -0.0414    1.9827 H   0  0  0  0  0
   -1.2154    0.5115    1.6947 H   0  0  0  0  0
   -0.5937    1.0678   -2.5274 H   0  0  0  0  0
    1.7868    0.4974   -2.2512 H   0  0  0  0  0
   -4.3417    0.8023   -0.2565 H   0  0  0  0  0
   -3.3120    1.1664    1.1320 H   0  0  0  0  0
   -3.2455   -0.4533    0.3355 H   0  0  0  0  0
    3.4424    1.8703    0.4089 H   0  0  0  0  0
    6.9100    2.3813   -0.4302 H   0  0  0  0  0
    6.1466    2.4536    1.1714 H   0  0  0  0  0
    2.5226    8.4655   -2.5430 H   0  0  0  0  0
    4.1339    7.6704   -4.2508 H   0  0  0  0  0
    5.4769    5.6256   -3.8176 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 11  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
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 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 25  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
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 23 43  1  0  0  0
 25 26  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349566

>  <Formula>
C18H17ClN4O3

>  <Molecular Weight>
372.809000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O3/c1-11(12-6-8-13(26-2)9-7-12)20-16(24)10-23-18(25)14-4-3-5-15(19)17(14)21-22-23/h3-9,11H,10H2,1-2H3,(H,20,24)/t11-/m0/s1

>  <InChI Key>
XSLDKBATWMJNOE-NSHDSACASA-N

