
 SCHEMBL15987869

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15987869

>  <PubChem CID>
90370453

>  <Formula>
C26H33FN6O4

>  <Molecular Weight>
512.586000

>  <IUPAC Name>
N-tert-butyl-2-[4-(4-fluoro-3-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)pyridin-2-yl]-5-oxo-1,2,4-triazol-3-yl]acetamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=C(C=C2)F)OC)C3=NC=C(C=C3)CCN4CCOCC4

>  <Isomeric SMILES>
CC(C)(C)NC(=O)CC1=NN(C(=O)N1C2=CC(=C(C=C2)F)OC)C3=NC=C(C=C3)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C26H33FN6O4/c1-26(2,3)29-24(34)16-23-30-33(25(35)32(23)19-6-7-20(27)21(15-19)36-4)22-8-5-18(17-28-22)9-10-31-11-13-37-14-12-31/h5-8,15,17H,9-14,16H2,1-4H3,(H,29,34)

>  <InChI Key>
BQUWWAVCEVQCQT-UHFFFAOYSA-N

