
 CHEMBL256585

 78 81  0  0  0  0  0  0  0  0999 V2000
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    7.4418    0.9096    2.0999 N   0  0  0  0  0
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    8.1580   -4.7621    7.3439 H   0  0  0  0  0
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    3.2891    4.4602   -1.4072 H   0  0  0  0  0
    3.9435    4.6812    0.2381 H   0  0  0  0  0
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    1.7173    4.0082    1.1925 H   0  0  0  0  0
    9.8571    1.2457   -2.1197 H   0  0  0  0  0
    9.5003    1.9272   -3.6653 H   0  0  0  0  0
    8.3992    0.3989   -5.4886 H   0  0  0  0  0
    8.6614   -1.7684   -6.6157 H   0  0  0  0  0
   10.8419   -3.2758   -3.2154 H   0  0  0  0  0
   10.5904   -1.1206   -2.0965 H   0  0  0  0  0
    8.2688    4.9274   -0.0214 H   0  0  0  0  0
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    8.2573    6.7982    4.5745 H   0  0  0  0  0
    7.9779    4.3751    4.2492 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL256585

>  <PubChem CID>
44455722

>  <Formula>
C32H34F3N3O5S

>  <Molecular Weight>
629.695000

>  <IUPAC Name>
N-[(1R)-1-[1-(4-ethoxyphenyl)-4-phenylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)N2C=C(N=C2C(C)N(CCS(=O)(=O)CC)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)C4=CC=CC=C4

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)N2C=C(N=C2[C@@H](C)N(CCS(=O)(=O)CC)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C32H34F3N3O5S/c1-4-42-27-17-13-26(14-18-27)38-22-29(25-9-7-6-8-10-25)36-31(38)23(3)37(19-20-44(40,41)5-2)30(39)21-24-11-15-28(16-12-24)43-32(33,34)35/h6-18,22-23H,4-5,19-21H2,1-3H3/t23-/m1/s1

>  <InChI Key>
AIFWQRPYGQNPEW-HSZRJFAPSA-N

