
 CHEMBL74236

 93 97  0  0  0  0  0  0  0  0999 V2000
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    6.3631    3.9160   -3.5043 H   0  0  0  0  0
    6.5585    4.3171   -1.7879 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL74236

>  <PubChem CID>
44311558

>  <Formula>
C39H42FN3O6S2

>  <Molecular Weight>
731.898000

>  <IUPAC Name>
(2-thiophen-3-ylphenyl)methyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate

>  <XlogP>
9.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)OCC4=CC=CC=C4C5=CSC=C5)CC

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)OCC4=CC=CC=C4C5=CSC=C5)CC

>  <InChI Std. ID>
InChI=1S/C39H42FN3O6S2/c1-5-11-36-41-34(6-2)37(38(44)49-24-29-12-7-8-13-31(29)30-19-21-50-25-30)43(36)23-28-17-16-27(22-33(28)40)32-14-9-10-15-35(32)51(46,47)42-39(45)48-20-18-26(3)4/h7-10,12-17,19,21-22,25-26H,5-6,11,18,20,23-24H2,1-4H3,(H,42,45)

>  <InChI Key>
BBYKQNJKFVTGSO-UHFFFAOYSA-N

