
 MLS001074397

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    8.2751    4.7341   -1.9270 N   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS001074397

>  <PubChem CID>
24978964

>  <Formula>
C28H29BrN4O4

>  <Molecular Weight>
565.468000

>  <IUPAC Name>
N-[2-[3-(3-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-5-(propylcarbamoyl)phenyl]furan-2-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC=CO5

>  <Isomeric SMILES>
CCCNC(=O)C1=CC(=C(C=C1)N2CCC3(CC2)CC(=NO3)C4=CC(=CC=C4)Br)NC(=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C28H29BrN4O4/c1-2-12-30-26(34)20-8-9-24(22(17-20)31-27(35)25-7-4-15-36-25)33-13-10-28(11-14-33)18-23(32-37-28)19-5-3-6-21(29)16-19/h3-9,15-17H,2,10-14,18H2,1H3,(H,30,34)(H,31,35)

>  <InChI Key>
AAJRKQXIVVFHAD-UHFFFAOYSA-N

