
 SCHEMBL805697

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M  END

>  <Chemical Name>
SCHEMBL805697

>  <PubChem CID>
25060003

>  <Formula>
C27H24F2N2O3

>  <Molecular Weight>
462.497000

>  <IUPAC Name>
1-benzyl-3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-ylindole-6-carboxylic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=O)O)C(=O)NCC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=O)O)C(=O)NCC4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C27H24F2N2O3/c1-16(2)25-24(26(32)30-14-18-8-11-21(28)22(29)12-18)20-10-9-19(27(33)34)13-23(20)31(25)15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,32)(H,33,34)

>  <InChI Key>
AGBWBDTYFZRHNJ-UHFFFAOYSA-N

