
 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.2051   -6.3564   -4.5873 C   0  0  0  0  0
    3.1377   -5.2848   -4.1076 C   0  0  0  0  0
    2.6370   -4.0826   -3.6086 C   0  0  0  0  0
    3.4961   -3.0654   -3.1574 C   0  0  0  0  0
    4.8951   -3.2682   -3.1939 C   0  0  0  0  0
    5.4060   -4.5148   -3.6127 C   0  0  0  0  0
    4.5182   -5.4973   -4.0907 C   0  0  0  0  0
    6.8613   -4.8975   -3.5303 C   0  0  0  0  0
    5.7281   -2.2164   -2.7444 N   0  0  0  0  0
    6.8764   -1.7837   -3.3981 C   0  0  0  0  0
    7.2928   -2.2082   -4.4731 O   0  0  0  0  0
    7.5872   -0.6561   -2.6764 C   0  0  0  0  0
    8.5052   -1.3406   -1.2635 S   0  0  0  0  0
    9.2300    0.0968   -0.6584 C   0  0  0  0  0
    9.0509    1.3202   -1.0860 N   0  0  0  0  0
    9.8490    2.0814   -0.2783 C   0  0  0  0  0
    9.9881    3.4223   -0.3599 N   0  0  0  0  0
   10.8346    3.9495    0.5572 C   0  0  0  0  0
   11.5269    3.2322    1.5296 C   0  0  0  0  0
   11.3780    1.8483    1.6092 C   0  0  0  0  0
   10.5136    1.3014    0.6655 C   0  0  0  0  0
   10.0966    0.0252    0.3940 N   0  0  0  0  0
   12.6657    4.1244    2.7432 Br  0  0  0  0  0
    2.8727   -1.7888   -2.6570 C   0  0  0  0  0
    2.7183   -7.0604   -5.2510 H   0  0  0  0  0
    1.3771   -5.9192   -5.1559 H   0  0  0  0  0
    1.8003   -6.9108   -3.7350 H   0  0  0  0  0
    1.5588   -3.9272   -3.5874 H   0  0  0  0  0
    4.9139   -6.4510   -4.4357 H   0  0  0  0  0
    6.9682   -5.9781   -3.3763 H   0  0  0  0  0
    7.3518   -4.4243   -2.6748 H   0  0  0  0  0
    7.3839   -4.6428   -4.4553 H   0  0  0  0  0
    5.3016   -1.5351   -2.1303 H   0  0  0  0  0
    6.8556    0.0873   -2.3426 H   0  0  0  0  0
    8.2748   -0.1719   -3.3774 H   0  0  0  0  0
   10.9453    5.0294    0.4834 H   0  0  0  0  0
   11.8939    1.2450    2.3463 H   0  0  0  0  0
   10.3679   -0.8224    0.8676 H   0  0  0  0  0
    3.3957   -0.9121   -3.0526 H   0  0  0  0  0
    2.8947   -1.7660   -1.5630 H   0  0  0  0  0
    1.8296   -1.6996   -2.9803 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 22  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 22 38  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

>  <PubChem CID>
2044631

>  <Formula>
C17H17BrN4OS

>  <Molecular Weight>
405.314000

>  <IUPAC Name>
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br)C

>  <Isomeric SMILES>
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=NC=C(C=C3N2)Br)C

>  <InChI Std. ID>
InChI=1S/C17H17BrN4OS/c1-9-4-10(2)15(11(3)5-9)21-14(23)8-24-17-20-13-6-12(18)7-19-16(13)22-17/h4-7H,8H2,1-3H3,(H,21,23)(H,19,20,22)

>  <InChI Key>
AMBHGYYJROSFPY-UHFFFAOYSA-N

