
 SCHEMBL2683369

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M  END

>  <Chemical Name>
SCHEMBL2683369

>  <PubChem CID>
67495953

>  <Formula>
C23H27BrN2O2

>  <Molecular Weight>
443.385000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)C2C3C=CC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

>  <Isomeric SMILES>
C1CCC(CC1)NC(=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/C23H27BrN2O2/c24-14-6-8-16(9-7-14)26-22(28)20-18-11-10-17(23(18)12-13-23)19(20)21(27)25-15-4-2-1-3-5-15/h6-11,15,17-20H,1-5,12-13H2,(H,25,27)(H,26,28)/t17-,18+,19-,20-/m1/s1

>  <InChI Key>
BPZTVGSXIDFTRG-IYWMVGAKSA-N

