
 (S)-N-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.7524   -0.2096    1.1385 C   0  0  0  0  0
    1.9721    0.5452   -0.1763 C   0  0  0  0  0
    0.6505    1.0918   -0.6843 C   0  0  0  0  0
    0.1442    2.3296   -0.2751 C   0  0  0  0  0
   -1.0826    2.8088   -0.7285 C   0  0  0  0  0
   -1.8615    2.0360   -1.5981 C   0  0  0  0  0
   -1.3792    0.7805   -1.9981 C   0  0  0  0  0
   -0.1379    0.3150   -1.5490 C   0  0  0  0  0
   -3.2008    2.5272   -2.0867 C   0  0  0  0  0
   -3.2813    2.5588   -3.4450 F   0  0  0  0  0
   -4.2261    1.7351   -1.6685 F   0  0  0  0  0
   -3.5060    3.7859   -1.6645 F   0  0  0  0  0
    0.8393    3.0901    0.5839 F   0  0  0  0  0
    2.9773    1.5826   -0.0190 N   0  0  0  0  0
    4.3214    1.3122    0.1052 C   0  0  0  0  0
    4.7900    0.1930   -0.0970 O   0  0  0  0  0
    5.2113    2.5256    0.3719 C   0  0  0  0  0
    4.7004    3.3316    1.4765 N   0  0  0  0  0
    3.8449    4.3910    1.2319 C   0  0  0  0  0
    3.4715    4.6728    0.0973 O   0  0  0  0  0
    3.3560    5.1039    2.4228 C   0  0  0  0  0
    3.7648    4.5663    3.6387 C   0  0  0  0  0
    3.3036    5.1456    4.8280 C   0  0  0  0  0
    2.4555    6.2503    4.8012 C   0  0  0  0  0
    2.0630    6.7912    3.5787 C   0  0  0  0  0
    2.5003    6.2189    2.3775 C   0  0  0  0  0
    2.1802    6.7497    1.1579 O   0  0  0  0  0
    0.8924    7.3452    1.0477 C   0  0  0  0  0
    4.6176    3.4629    3.7465 N   0  0  0  0  0
    5.0464    2.9008    2.7209 N   0  0  0  0  0
    2.6815   -0.6673    1.4922 H   0  0  0  0  0
    1.0133   -1.0086    1.0162 H   0  0  0  0  0
    1.3948    0.4608    1.9284 H   0  0  0  0  0
    2.3686   -0.1612   -0.9174 H   0  0  0  0  0
   -1.4198    3.7852   -0.3898 H   0  0  0  0  0
   -1.9736    0.1547   -2.6642 H   0  0  0  0  0
    0.2073   -0.6661   -1.8734 H   0  0  0  0  0
    2.6675    2.5464    0.0736 H   0  0  0  0  0
    5.2692    3.1211   -0.5456 H   0  0  0  0  0
    6.2202    2.1823    0.6274 H   0  0  0  0  0
    3.6139    4.7289    5.7840 H   0  0  0  0  0
    2.1114    6.6956    5.7319 H   0  0  0  0  0
    1.4304    7.6740    3.5881 H   0  0  0  0  0
    0.6765    7.4783   -0.0162 H   0  0  0  0  0
    0.8791    8.3350    1.5141 H   0  0  0  0  0
    0.1139    6.7009    1.4705 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 13  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  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 41  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 29 30  2  0  0  0
M  END

>  <Chemical Name>
(S)-N-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

>  <PubChem CID>
121349656

>  <Formula>
C19H16F4N4O3

>  <Molecular Weight>
424.356000

>  <IUPAC Name>
N-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)acetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=C(C=C(C=C1)C(F)(F)F)F)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <Isomeric SMILES>
C[C@@H](C1=C(C=C(C=C1)C(F)(F)F)F)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <InChI Std. ID>
InChI=1S/C19H16F4N4O3/c1-10(12-7-6-11(8-13(12)20)19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1

>  <InChI Key>
BVSHTPOMWMZUCR-JTQLQIEISA-N

