
 CHEMBL95198

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL95198

>  <PubChem CID>
10233073

>  <Formula>
C32H29F3N4O5S

>  <Molecular Weight>
638.662000

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

>  <XlogP>
6.4

>  <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(OC=C4)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(OC=C4)C)C5=CC=CC=C5C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H29F3N4O5S/c1-3-4-13-29-36-39(27-11-7-6-10-26(27)32(33,34)35)31(41)38(29)20-22-14-16-23(17-15-22)25-9-5-8-12-28(25)45(42,43)37-30(40)24-18-19-44-21(24)2/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)

>  <InChI Key>
CJGZUWKIXNNPQK-UHFFFAOYSA-N

