
 (S)-2-(6-fluoro-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
    2.2868    1.1352    1.6337 C   0  0  0  0  0
    3.2784   -0.0268    1.5588 C   0  0  0  0  0
    2.8195   -1.2309    0.7522 C   0  0  0  0  0
    1.8299   -1.1689   -0.2365 C   0  0  0  0  0
    1.4946   -2.3067   -0.9788 C   0  0  0  0  0
    2.1539   -3.5183   -0.7688 C   0  0  0  0  0
    3.1336   -3.5970    0.2173 C   0  0  0  0  0
    3.4647   -2.4628    0.9659 C   0  0  0  0  0
    1.7458   -4.5483   -1.5704 O   0  0  0  0  0
    2.6591   -5.6311   -1.7074 C   0  0  0  0  0
    4.5385    0.4320    1.0014 N   0  0  0  0  0
    5.5826    0.8967    1.7622 C   0  0  0  0  0
    5.5067    1.0338    2.9839 O   0  0  0  0  0
    6.8621    1.2494    0.9983 C   0  0  0  0  0
    6.7622    0.9610   -0.4284 N   0  0  0  0  0
    7.0917   -0.2953   -0.9001 C   0  0  0  0  0
    7.5424   -1.2043   -0.2110 O   0  0  0  0  0
    6.8230   -0.5171   -2.3170 C   0  0  0  0  0
    6.2981    0.5590   -3.0194 C   0  0  0  0  0
    5.9974    0.3865   -4.3766 C   0  0  0  0  0
    6.2131   -0.8450   -5.0014 C   0  0  0  0  0
    6.7347   -1.9049   -4.2673 C   0  0  0  0  0
    7.0470   -1.7560   -2.9240 C   0  0  0  0  0
    6.9317   -3.0861   -4.8651 F   0  0  0  0  0
    6.0430    1.7993   -2.4254 N   0  0  0  0  0
    6.2437    1.9582   -1.2035 N   0  0  0  0  0
    2.6617    1.9176    2.3032 H   0  0  0  0  0
    1.3151    0.8028    2.0140 H   0  0  0  0  0
    2.1325    1.6030    0.6547 H   0  0  0  0  0
    3.4521   -0.3617    2.5897 H   0  0  0  0  0
    1.3049   -0.2427   -0.4543 H   0  0  0  0  0
    0.7207   -2.2436   -1.7403 H   0  0  0  0  0
    3.6537   -4.5236    0.4350 H   0  0  0  0  0
    4.2451   -2.5419    1.7222 H   0  0  0  0  0
    2.2741   -6.2958   -2.4865 H   0  0  0  0  0
    2.7278   -6.2103   -0.7811 H   0  0  0  0  0
    3.6461   -5.2789   -2.0271 H   0  0  0  0  0
    4.6259    0.4586   -0.0054 H   0  0  0  0  0
    7.6842    0.6706    1.4318 H   0  0  0  0  0
    7.0680    2.3171    1.1314 H   0  0  0  0  0
    5.5852    1.2155   -4.9480 H   0  0  0  0  0
    5.9729   -0.9842   -6.0513 H   0  0  0  0  0
    7.4467   -2.5950   -2.3625 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-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349809

>  <Formula>
C18H17FN4O3

>  <Molecular Weight>
356.357000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C18H17FN4O3/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>
POUOYHMMTHSEKJ-NSHDSACASA-N

