
 SCHEMBL17767153

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M  END

>  <Chemical Name>
SCHEMBL17767153

>  <PubChem CID>
121349739

>  <Formula>
C18H15F3N4O3

>  <Molecular Weight>
392.338000

>  <IUPAC Name>
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(6-fluoro-4-oxo-1,2,3-benzotriazin-3-yl)acetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)OC(F)F)NC(=O)CN2C(=O)C3=C(C=CC(=C3)F)N=N2

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)OC(F)F)NC(=O)CN2C(=O)C3=C(C=CC(=C3)F)N=N2

>  <InChI Std. ID>
InChI=1S/C18H15F3N4O3/c1-10(11-2-5-13(6-3-11)28-18(20)21)22-16(26)9-25-17(27)14-8-12(19)4-7-15(14)23-24-25/h2-8,10,18H,9H2,1H3,(H,22,26)/t10-/m0/s1

>  <InChI Key>
NVBVBYBGSGRJPA-JTQLQIEISA-N

