
 SCHEMBL2682307

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2682307

>  <PubChem CID>
67495368

>  <Formula>
C26H32BrF2N3O2

>  <Molecular Weight>
536.462000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-[(4-bromo-2,3-difluorophenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(C1)CCCCNC(=O)C2C3C=CC(C2C(=O)NCC4=C(C(=C(C=C4)Br)F)F)C35CC5

>  <Isomeric SMILES>
C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NCC4=C(C(=C(C=C4)Br)F)F)C35CC5

>  <InChI Std. ID>
InChI=1S/C26H32BrF2N3O2/c27-19-8-5-16(22(28)23(19)29)15-31-25(34)21-18-7-6-17(26(18)9-10-26)20(21)24(33)30-11-1-2-12-32-13-3-4-14-32/h5-8,17-18,20-21H,1-4,9-15H2,(H,30,33)(H,31,34)/t17-,18+,20-,21-/m1/s1

>  <InChI Key>
CCYMLARANNAQHW-KOUHRCEDSA-N

