
 SCHEMBL15987859

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15987859

>  <PubChem CID>
86582051

>  <Formula>
C27H33ClN6O2

>  <Molecular Weight>
509.051000

>  <IUPAC Name>
N-tert-butyl-2-[5-(3-chlorophenyl)-3-[5-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-yl]-1,2,4-triazol-1-yl]acetamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)NC(=O)CN1C(=NC(=N1)C2=NC=C(C=C2)CCN3C4CCC3COC4)C5=CC(=CC=C5)Cl

>  <Isomeric SMILES>
CC(C)(C)NC(=O)CN1C(=NC(=N1)C2=NC=C(C=C2)CCN3C4CCC3COC4)C5=CC(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C27H33ClN6O2/c1-27(2,3)31-24(35)15-34-26(19-5-4-6-20(28)13-19)30-25(32-34)23-10-7-18(14-29-23)11-12-33-21-8-9-22(33)17-36-16-21/h4-7,10,13-14,21-22H,8-9,11-12,15-17H2,1-3H3,(H,31,35)

>  <InChI Key>
ALFNZFBYYGJOKZ-UHFFFAOYSA-N

