
 MLS000045863

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M  END

>  <Chemical Name>
MLS000045863

>  <PubChem CID>
3237685

>  <Formula>
C19H16FN3O2

>  <Molecular Weight>
337.354000

>  <IUPAC Name>
6-(2,3-dihydroindol-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C3=CC(=O)N(C(=O)N3)CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H16FN3O2/c20-15-7-5-13(6-8-15)12-23-18(24)11-17(21-19(23)25)22-10-9-14-3-1-2-4-16(14)22/h1-8,11H,9-10,12H2,(H,21,25)

>  <InChI Key>
AGBZJWQTKDBXCI-UHFFFAOYSA-N

