
 (S)-2-(6,8-dichloro-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
    3.2996   -1.5263    1.1233 C   0  0  0  0  0
    2.9513   -0.3158    0.2518 C   0  0  0  0  0
    1.4645   -0.2753   -0.0613 C   0  0  0  0  0
    1.0210   -0.3171   -1.3891 C   0  0  0  0  0
   -0.3450   -0.2643   -1.6820 C   0  0  0  0  0
   -1.2925   -0.1628   -0.6614 C   0  0  0  0  0
   -0.8614   -0.1196    0.6630 C   0  0  0  0  0
    0.5050   -0.1755    0.9600 C   0  0  0  0  0
   -2.5913   -0.1145   -1.0866 O   0  0  0  0  0
   -3.5915    0.0126   -0.0835 C   0  0  0  0  0
    3.3469    0.9390    0.8750 N   0  0  0  0  0
    4.6692    1.3098    1.0268 C   0  0  0  0  0
    5.6057    0.6038    0.6649 O   0  0  0  0  0
    4.8320    2.6909    1.6642 C   0  0  0  0  0
    6.2272    2.9936    1.9239 N   0  0  0  0  0
    6.8015    2.5930    3.1101 C   0  0  0  0  0
    6.1981    2.0460    4.0296 O   0  0  0  0  0
    8.2272    2.8802    3.2410 C   0  0  0  0  0
    8.9351    2.5295    4.3977 C   0  0  0  0  0
   10.2885    2.8323    4.4792 C   0  0  0  0  0
   10.9292    3.4749    3.4242 C   0  0  0  0  0
   10.2016    3.8153    2.2780 C   0  0  0  0  0
    8.8324    3.5218    2.1687 C   0  0  0  0  0
    8.1202    3.8772    1.0144 N   0  0  0  0  0
    6.9070    3.6043    0.9128 N   0  0  0  0  0
   11.0471    4.6184    0.9997 Cl  0  0  0  0  0
   11.1762    2.4169    5.8913 Cl  0  0  0  0  0
    4.3822   -1.6210    1.2559 H   0  0  0  0  0
    2.9393   -2.4548    0.6663 H   0  0  0  0  0
    2.8597   -1.4489    2.1238 H   0  0  0  0  0
    3.5198   -0.4008   -0.6833 H   0  0  0  0  0
    1.7320   -0.3931   -2.2093 H   0  0  0  0  0
   -0.6744   -0.3020   -2.7179 H   0  0  0  0  0
   -1.5596   -0.0449    1.4899 H   0  0  0  0  0
    0.8152   -0.1409    2.0028 H   0  0  0  0  0
   -4.5642    0.0505   -0.5834 H   0  0  0  0  0
   -3.4704    0.9444    0.4792 H   0  0  0  0  0
   -3.5935   -0.8553    0.5841 H   0  0  0  0  0
    2.6175    1.6080    1.0845 H   0  0  0  0  0
    4.2683    2.7135    2.6033 H   0  0  0  0  0
    4.4193    3.4479    0.9878 H   0  0  0  0  0
    8.4287    2.0271    5.2192 H   0  0  0  0  0
   11.9884    3.7117    3.4906 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 25  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 42  1  0  0  0
 20 21  2  0  0  0
 20 27  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
M  END

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

>  <PubChem CID>
121349778

>  <Formula>
C18H16Cl2N4O3

>  <Molecular Weight>
407.251000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C18H16Cl2N4O3/c1-10(11-3-5-13(27-2)6-4-11)21-16(25)9-24-18(26)14-7-12(19)8-15(20)17(14)22-23-24/h3-8,10H,9H2,1-2H3,(H,21,25)/t10-/m0/s1

>  <InChI Key>
OIAZRITXWWPTNH-JTQLQIEISA-N

