
 MLS000401592

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M  END

>  <Chemical Name>
MLS000401592

>  <PubChem CID>
3690550

>  <Formula>
C26H21FN4O5S2

>  <Molecular Weight>
552.595000

>  <IUPAC Name>
1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)O)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CC1=NN(C2=C1C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)O)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C26H21FN4O5S2/c1-15-21-14-24(37-26(21)31(29-15)18-7-3-16(27)4-8-18)25(33)28-22-13-20(11-12-23(22)32)38(34,35)30-17-5-9-19(36-2)10-6-17/h3-14,30,32H,1-2H3,(H,28,33)

>  <InChI Key>
AIXCLGQVXMIORW-UHFFFAOYSA-N

