
 SCHEMBL2681673

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M  END

>  <Chemical Name>
SCHEMBL2681673

>  <PubChem CID>
67495075

>  <Formula>
C23H28BrN3O2

>  <Molecular Weight>
458.400000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(piperidin-4-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1CNC(=O)C2C3C=CC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <Isomeric SMILES>
C1CNCCC1CNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <InChI Std. ID>
InChI=1S/C23H28BrN3O2/c24-15-1-3-16(4-2-15)27-22(29)20-18-6-5-17(23(18)9-10-23)19(20)21(28)26-13-14-7-11-25-12-8-14/h1-6,14,17-20,25H,7-13H2,(H,26,28)(H,27,29)/t17-,18+,19-,20-/m1/s1

>  <InChI Key>
ASMQLNRUXGADMB-IYWMVGAKSA-N

