
 CHEMBL329693

 77 81  0  0  0  0  0  0  0  0999 V2000
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    4.7222   -5.7935   -2.1756 H   0  0  0  0  0
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   10.9399   -3.5387   -1.8794 H   0  0  0  0  0
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    8.4096   -5.6278   -6.8394 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL329693

>  <PubChem CID>
10326942

>  <Formula>
C33H31F3N4O5S

>  <Molecular Weight>
652.689000

>  <IUPAC Name>
N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,5-dimethylfuran-2-carboxamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=C(O4)C)C)C5=CC=CC=C5C(F)(F)F

>  <Isomeric SMILES>
CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=C(O4)C)C)C5=CC=CC=C5C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C33H31F3N4O5S/c1-4-5-14-29-37-40(27-12-8-7-11-26(27)33(34,35)36)32(42)39(29)20-23-15-17-24(18-16-23)25-10-6-9-13-28(25)46(43,44)38-31(41)30-21(2)19-22(3)45-30/h6-13,15-19H,4-5,14,20H2,1-3H3,(H,38,41)

>  <InChI Key>
AOOWLKVDPNXOHY-UHFFFAOYSA-N

