
 CHEMBL3964337

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M  END

>  <Chemical Name>
CHEMBL3964337

>  <PubChem CID>
127053961

>  <Formula>
C25H24ClF2N5O2

>  <Molecular Weight>
499.947000

>  <IUPAC Name>
(3R,4R,5S,7aR)-4-[(E)-2-[5-(2-chlorophenyl)pyridin-2-yl]ethenyl]-6,6-difluoro-3,5-dimethyl-7a-(2H-tetrazol-5-ylmethyl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-1-one

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(C2C(OC(=O)C2(CC1(F)F)CC3=NNN=N3)C)C=CC4=NC=C(C=C4)C5=CC=CC=C5Cl

>  <Isomeric SMILES>
C[C@H]1[C@@H](C2[C@H](OC(=O)[C@@]2(CC1(F)F)CC3=NNN=N3)C)/C=C/C4=NC=C(C=C4)C5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C25H24ClF2N5O2/c1-14-18(10-9-17-8-7-16(12-29-17)19-5-3-4-6-20(19)26)22-15(2)35-23(34)24(22,13-25(14,27)28)11-21-30-32-33-31-21/h3-10,12,14-15,18,22H,11,13H2,1-2H3,(H,30,31,32,33)/b10-9+/t14-,15+,18-,22?,24+/m0/s1

>  <InChI Key>
BOXQIKNFMZYQCE-YNSSLRNISA-N

