
 CHEMBL3104187

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3104187

>  <PubChem CID>
58055769

>  <Formula>
C28H37FN6O

>  <Molecular Weight>
492.643000

>  <IUPAC Name>
N,N-diethyl-2-[4-[2-fluoro-4-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NN(C(=N4)C(C)C)C)F

>  <Isomeric SMILES>
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C4=NN(C(=N4)C(C)C)C)F

>  <InChI Std. ID>
InChI=1S/C28H37FN6O/c1-6-33(7-2)28(36)25(21-11-9-8-10-12-21)35-17-15-34(16-18-35)24-14-13-22(19-23(24)29)26-30-27(20(3)4)32(5)31-26/h8-14,19-20,25H,6-7,15-18H2,1-5H3

>  <InChI Key>
AOVOLLWAVPUHLY-UHFFFAOYSA-N

