
 BAS 03609370

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M  END

>  <Chemical Name>
BAS 03609370

>  <PubChem CID>
1164818

>  <Formula>
C21H20F3N3O3S

>  <Molecular Weight>
451.464000

>  <IUPAC Name>
3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]propanamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=CC=C1CCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

>  <Isomeric SMILES>
COC1=CC=CC=C1CCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

>  <InChI Std. ID>
InChI=1S/C21H20F3N3O3S/c1-29-16-6-3-2-5-14(16)8-10-25-19(28)9-12-31-20-26-15(17-7-4-11-30-17)13-18(27-20)21(22,23)24/h2-7,11,13H,8-10,12H2,1H3,(H,25,28)

>  <InChI Key>
AAYYZVXOTIKGMI-UHFFFAOYSA-N

