
 SCHEMBL2682418

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2682418

>  <PubChem CID>
67495426

>  <Formula>
C22H27BrN4O3

>  <Molecular Weight>
475.387000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2C(C(C1C23CC3)C(=O)NCCN4CCNC4=O)C(=O)NC5=CC=C(C=C5)Br

>  <Isomeric SMILES>
C1C[C@H]2[C@H]([C@@H]([C@@H]1C23CC3)C(=O)NCCN4CCNC4=O)C(=O)NC5=CC=C(C=C5)Br

>  <InChI Std. ID>
InChI=1S/C22H27BrN4O3/c23-13-1-3-14(4-2-13)26-20(29)18-16-6-5-15(22(16)7-8-22)17(18)19(28)24-9-11-27-12-10-25-21(27)30/h1-4,15-18H,5-12H2,(H,24,28)(H,25,30)(H,26,29)/t15-,16+,17-,18-/m1/s1

>  <InChI Key>
BFGWEZDDHDCMQF-XMTFNYHQSA-N

