
 (S)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-(trifluoromethoxy)phenyl)ethyl)acetamide

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.0003    1.3079    0.4166 C   0  0  0  0  0
    2.0076    1.3553   -0.7291 C   0  0  0  0  0
    1.3865    1.9089   -2.0017 C   0  0  0  0  0
    0.9831    1.0216   -3.0090 C   0  0  0  0  0
    0.4833    1.4998   -4.2223 C   0  0  0  0  0
    0.3926    2.8708   -4.4624 C   0  0  0  0  0
    0.7152    3.7642   -3.4436 C   0  0  0  0  0
    1.2027    3.2852   -2.2198 C   0  0  0  0  0
   -0.0274    3.2010   -5.7178 O   0  0  0  0  0
    0.3574    4.4701   -6.2192 C   0  0  0  0  0
    0.3271    4.4256   -7.5725 F   0  0  0  0  0
   -0.5122    5.4198   -5.8077 F   0  0  0  0  0
    1.6097    4.8183   -5.8463 F   0  0  0  0  0
    3.1823    2.1214   -0.3550 N   0  0  0  0  0
    4.3149    1.5701    0.1927 C   0  0  0  0  0
    4.4192    0.3699    0.4496 O   0  0  0  0  0
    5.4558    2.5545    0.4829 C   0  0  0  0  0
    5.1337    3.9174    0.0690 N   0  0  0  0  0
    5.4215    4.3316   -1.2215 C   0  0  0  0  0
    5.9998    3.6498   -2.0574 O   0  0  0  0  0
    4.9430    5.6687   -1.5642 C   0  0  0  0  0
    4.2854    6.3613   -0.5606 C   0  0  0  0  0
    3.7924    7.6356   -0.8522 C   0  0  0  0  0
    3.9544    8.1847   -2.1280 C   0  0  0  0  0
    4.6231    7.4757   -3.1286 C   0  0  0  0  0
    5.1162    6.2043   -2.8482 C   0  0  0  0  0
    4.7042    8.1193   -4.3301 O   0  0  0  0  0
    5.6749    7.6262   -5.2491 C   0  0  0  0  0
    4.0771    5.8331    0.7178 N   0  0  0  0  0
    4.4649    4.6767    0.9849 N   0  0  0  0  0
    1.4561    0.8680    1.3130 H   0  0  0  0  0
    0.1306    0.6995    0.1491 H   0  0  0  0  0
    0.6469    2.3063    0.6828 H   0  0  0  0  0
    2.3448    0.3268   -0.9260 H   0  0  0  0  0
    1.0784   -0.0531   -2.8681 H   0  0  0  0  0
    0.1962    0.7932   -4.9961 H   0  0  0  0  0
    0.6104    4.8392   -3.5697 H   0  0  0  0  0
    1.4562    4.0094   -1.4478 H   0  0  0  0  0
    3.1250    3.1303   -0.3655 H   0  0  0  0  0
    6.3449    2.2087   -0.0510 H   0  0  0  0  0
    5.6565    2.5496    1.5577 H   0  0  0  0  0
    3.2744    8.2066   -0.0841 H   0  0  0  0  0
    3.5612    9.1766   -2.3420 H   0  0  0  0  0
    5.6164    5.6046   -3.6024 H   0  0  0  0  0
    5.6909    8.3010   -6.1097 H   0  0  0  0  0
    5.4057    6.6292   -5.6144 H   0  0  0  0  0
    6.6736    7.6281   -4.8025 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 14  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 30  1  0  0  0
 18 19  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 29  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 28 47  1  0  0  0
 29 30  2  0  0  0
M  END

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

>  <PubChem CID>
121349600

>  <Formula>
C19H17F3N4O4

>  <Molecular Weight>
422.364000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C19H17F3N4O4/c1-11(12-3-5-13(6-4-12)30-19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1

>  <InChI Key>
LXOIGFCFUKXFFP-NSHDSACASA-N

