
 SCHEMBL17767211

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M  END

>  <Chemical Name>
SCHEMBL17767211

>  <PubChem CID>
121349786

>  <Formula>
C19H18F2N4O4

>  <Molecular Weight>
404.374000

>  <IUPAC Name>
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)acetamide

>  <XlogP>
3.7

>  <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=C3OC)N=N2

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)OC(F)F)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <InChI Std. ID>
InChI=1S/C19H18F2N4O4/c1-11(12-6-8-13(9-7-12)29-19(20)21)22-16(26)10-25-18(27)17-14(23-24-25)4-3-5-15(17)28-2/h3-9,11,19H,10H2,1-2H3,(H,22,26)/t11-/m0/s1

>  <InChI Key>
CBWQJOMWISNROA-NSHDSACASA-N

