
 (S)-2-(6-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
    1.6581   -0.4699    1.5268 C   0  0  0  0  0
    2.3633   -0.1155    0.2155 C   0  0  0  0  0
    1.4359    0.0872   -0.9695 C   0  0  0  0  0
    0.1376    0.5983   -0.8486 C   0  0  0  0  0
   -0.6740    0.7506   -1.9778 C   0  0  0  0  0
   -0.2081    0.4074   -3.2481 C   0  0  0  0  0
    1.0920   -0.0729   -3.3846 C   0  0  0  0  0
    1.9062   -0.2260   -2.2564 C   0  0  0  0  0
   -1.1096    0.5928   -4.2593 O   0  0  0  0  0
   -0.7173    0.1558   -5.5549 C   0  0  0  0  0
    3.1777    1.0749    0.4046 N   0  0  0  0  0
    4.5594    1.0376    0.3746 C   0  0  0  0  0
    5.1921    0.0091    0.1496 O   0  0  0  0  0
    5.2072    2.3935    0.6626 C   0  0  0  0  0
    6.6521    2.3153    0.5470 N   0  0  0  0  0
    7.3992    1.8956    1.6290 C   0  0  0  0  0
    6.9433    1.6664    2.7457 O   0  0  0  0  0
    8.8283    1.7387    1.3756 C   0  0  0  0  0
    9.2631    2.0622    0.0986 C   0  0  0  0  0
   10.6271    1.9311   -0.1905 C   0  0  0  0  0
   11.5245    1.4816    0.7835 C   0  0  0  0  0
   11.0594    1.1591    2.0581 C   0  0  0  0  0
    9.7090    1.2866    2.3649 C   0  0  0  0  0
   12.1621    0.6030    3.2529 Cl  0  0  0  0  0
    8.4003    2.5101   -0.9070 N   0  0  0  0  0
    7.1735    2.5910   -0.6840 N   0  0  0  0  0
    2.3941   -0.7080    2.3026 H   0  0  0  0  0
    1.0038   -1.3392    1.4019 H   0  0  0  0  0
    1.0552    0.3621    1.9073 H   0  0  0  0  0
    3.0152   -0.9669   -0.0172 H   0  0  0  0  0
   -0.2711    0.8776    0.1185 H   0  0  0  0  0
   -1.6856    1.1349   -1.8649 H   0  0  0  0  0
    1.5066   -0.3389   -4.3512 H   0  0  0  0  0
    2.9208   -0.6023   -2.3864 H   0  0  0  0  0
   -1.5618    0.3178   -6.2322 H   0  0  0  0  0
   -0.4875   -0.9150   -5.5609 H   0  0  0  0  0
    0.1269    0.7440   -5.9284 H   0  0  0  0  0
    2.6967    1.9560    0.5246 H   0  0  0  0  0
    4.9326    2.6999    1.6775 H   0  0  0  0  0
    4.8287    3.1372   -0.0467 H   0  0  0  0  0
   10.9920    2.1791   -1.1852 H   0  0  0  0  0
   12.5802    1.3819    0.5411 H   0  0  0  0  0
    9.3366    1.0349    3.3559 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
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 26  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 25  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 43  1  0  0  0
 25 26  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(6-chloro-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349689

>  <Formula>
C18H17ClN4O3

>  <Molecular Weight>
372.809000

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

>  <InChI Key>
IMHMUHMELFJCBS-NSHDSACASA-N

