
 ASN 06917370

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M  END

>  <Chemical Name>
ASN 06917370

>  <PubChem CID>
135439060

>  <Formula>
C24H21ClF3N7O2

>  <Molecular Weight>
531.924000

>  <IUPAC Name>
4-[3-[(2-chlorophenyl)methyl]-7-oxo-6H-triazolo[4,5-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1C2=NC3=C(C(=O)N2)N=NN3CC4=CC=CC=C4Cl)C(=O)NC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1C2=NC3=C(C(=O)N2)N=NN3CC4=CC=CC=C4Cl)C(=O)NC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H21ClF3N7O2/c25-18-4-2-1-3-15(18)13-35-21-19(32-33-35)22(36)31-20(30-21)14-9-11-34(12-10-14)23(37)29-17-7-5-16(6-8-17)24(26,27)28/h1-8,14H,9-13H2,(H,29,37)(H,30,31,36)

>  <InChI Key>
SKWHAHNDWJREJG-UHFFFAOYSA-N

