
 CHEMBL166875

 71 74  0  0  0  0  0  0  0  0999 V2000
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    4.8876   -0.8563    3.4229 H   0  0  0  0  0
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    4.4375    2.9976    0.5910 H   0  0  0  0  0
    4.1390    4.6028   -3.9498 H   0  0  0  0  0
    2.1143    5.8275   -4.5210 H   0  0  0  0  0
    0.7398    5.4205   -0.4362 H   0  0  0  0  0
    2.7634    4.2313    0.1262 H   0  0  0  0  0
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    1.1296    8.3981   -3.1232 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL166875

>  <PubChem CID>
44380954

>  <Formula>
C28H30BrN5O6S

>  <Molecular Weight>
644.541000

>  <IUPAC Name>
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=NC(=C(C(=N1)OCCOC2=NC=C(C=N2)Br)OC3=CC=CC=C3OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

>  <Isomeric SMILES>
CC1=NC(=C(C(=N1)OCCOC2=NC=C(C=N2)Br)OC3=CC=CC=C3OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C28H30BrN5O6S/c1-18-32-25(34-41(35,36)21-12-10-19(11-13-21)28(2,3)4)24(40-23-9-7-6-8-22(23)37-5)26(33-18)38-14-15-39-27-30-16-20(29)17-31-27/h6-13,16-17H,14-15H2,1-5H3,(H,32,33,34)

>  <InChI Key>
FPWSONXCLFDXOT-UHFFFAOYSA-N

