
 CHEMBL339672

 81 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL339672

>  <PubChem CID>
10032820

>  <Formula>
C35H32Cl2FN5O5S

>  <Molecular Weight>
724.629000

>  <IUPAC Name>
N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)F)C5=C(C=CC(=C5)NC(=O)CC)Cl

>  <Isomeric SMILES>
CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)F)C5=C(C=CC(=C5)NC(=O)CC)Cl

>  <InChI Std. ID>
InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45)

>  <InChI Key>
CFMUZUVRPWGTOR-UHFFFAOYSA-N

