
 SCHEMBL2443405

 52 55  0  0  0  0  0  0  0  0999 V2000
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    4.5766    6.5139    0.1724 N   0  0  0  0  0
    3.3786    6.2879   -0.4738 C   0  0  0  0  0
    3.1801    5.5814   -1.4524 O   0  0  0  0  0
    2.4423    7.0657    0.1760 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2443405

>  <PubChem CID>
53378951

>  <Formula>
C24H18Cl2F3N3O2

>  <Molecular Weight>
508.322000

>  <IUPAC Name>
5-(4-chlorophenyl)-2-[[3-(2-chlorophenyl)phenyl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C(=C1)C2=CC(=CC=C2)CN3C(=O)N(C(=N3)C4=CC=C(C=C4)Cl)CC(C(F)(F)F)O)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)C2=CC(=CC=C2)CN3C(=O)N(C(=N3)C4=CC=C(C=C4)Cl)CC(C(F)(F)F)O)Cl

>  <InChI Std. ID>
InChI=1S/C24H18Cl2F3N3O2/c25-18-10-8-16(9-11-18)22-30-32(23(34)31(22)14-21(33)24(27,28)29)13-15-4-3-5-17(12-15)19-6-1-2-7-20(19)26/h1-12,21,33H,13-14H2

>  <InChI Key>
BSYIUTMEBAJKRA-UHFFFAOYSA-N

