
 BDBM50138207

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50138207

>  <PubChem CID>
91932740

>  <Formula>
C32H35N7O2S

>  <Molecular Weight>
581.739000

>  <IUPAC Name>
5-hydroxy-1-(3-morpholin-4-ylpropyl)-4-(2-phenylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-2-thione

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCCN1CCCN2C(=C(N(C2=S)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CCC6=CC=CC=C6)O

>  <Isomeric SMILES>
C1COCCN1CCCN2C(=C(N(C2=S)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CCC6=CC=CC=C6)O

>  <InChI Std. ID>
InChI=1S/C32H35N7O2S/c40-31-29(16-13-24-7-2-1-3-8-24)39(32(42)38(31)18-6-17-37-19-21-41-22-20-37)23-25-11-14-26(15-12-25)27-9-4-5-10-28(27)30-33-35-36-34-30/h1-5,7-12,14-15,40H,6,13,16-23H2,(H,33,34,35,36)

>  <InChI Key>
APVGLGBYQNPOGS-UHFFFAOYSA-N

