
 SCHEMBL15969145

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M  END

>  <Chemical Name>
SCHEMBL15969145

>  <PubChem CID>
78324635

>  <Formula>
C23H24F3N3O2

>  <Molecular Weight>
431.459000

>  <IUPAC Name>
(6S)-3-[4-(difluoromethoxy)-3-methylphenyl]-1-(2,6-dimethylpyridin-4-yl)-6-(fluoromethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=CC(=N1)C)C2=C3CCOC(CN3C(=N2)C4=CC(=C(C=C4)OC(F)F)C)CF

>  <Isomeric SMILES>
CC1=CC(=CC(=N1)C)C2=C3CCO[C@@H](CN3C(=N2)C4=CC(=C(C=C4)OC(F)F)C)CF

>  <InChI Std. ID>
InChI=1S/C23H24F3N3O2/c1-13-8-16(4-5-20(13)31-23(25)26)22-28-21(17-9-14(2)27-15(3)10-17)19-6-7-30-18(11-24)12-29(19)22/h4-5,8-10,18,23H,6-7,11-12H2,1-3H3/t18-/m1/s1

>  <InChI Key>
BAIIBBAGVSWQTN-GOSISDBHSA-N

