
 SCHEMBL17766994

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M  END

>  <Chemical Name>
SCHEMBL17766994

>  <PubChem CID>
121349614

>  <Formula>
C19H19FN4O2

>  <Molecular Weight>
354.385000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C(C)NC(=O)CN2C(=O)C3=C(C=CC(=C3)F)N=N2)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=C(C=CC(=C3)F)N=N2)C

>  <InChI Std. ID>
InChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1

>  <InChI Key>
FVQNXYAXDJPHPI-ZDUSSCGKSA-N

