
 SCHEMBL15597032

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M  END

>  <Chemical Name>
SCHEMBL15597032

>  <PubChem CID>
90063031

>  <Formula>
C24H19F6N3O2

>  <Molecular Weight>
495.425000

>  <IUPAC Name>
1-(2,4-difluorophenyl)-3-[5-fluoro-2-[7-hydroxy-3,3-dimethyl-4-(trifluoromethyl)-2H-indol-1-yl]phenyl]urea

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(CN(C2=C(C=CC(=C21)C(F)(F)F)O)C3=C(C=C(C=C3)F)NC(=O)NC4=C(C=C(C=C4)F)F)C

>  <Isomeric SMILES>
CC1(CN(C2=C(C=CC(=C21)C(F)(F)F)O)C3=C(C=C(C=C3)F)NC(=O)NC4=C(C=C(C=C4)F)F)C

>  <InChI Std. ID>
InChI=1S/C24H19F6N3O2/c1-23(2)11-33(21-19(34)8-5-14(20(21)23)24(28,29)30)18-7-4-13(26)10-17(18)32-22(35)31-16-6-3-12(25)9-15(16)27/h3-10,34H,11H2,1-2H3,(H2,31,32,35)

>  <InChI Key>
AJTSSGGHKSSYPE-UHFFFAOYSA-N

