
 SCHEMBL1671891

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M  END

>  <Chemical Name>
SCHEMBL1671891

>  <PubChem CID>
52917089

>  <Formula>
C27H24N4OS

>  <Molecular Weight>
452.576000

>  <IUPAC Name>
(2-phenylphenyl)-[2-(4-thiophen-2-ylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C2CN(CC2CN1C3=NC=CC(=N3)C4=CC=CS4)C(=O)C5=CC=CC=C5C6=CC=CC=C6

>  <Isomeric SMILES>
C1C2CN(CC2CN1C3=NC=CC(=N3)C4=CC=CS4)C(=O)C5=CC=CC=C5C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C27H24N4OS/c32-26(23-10-5-4-9-22(23)19-7-2-1-3-8-19)30-15-20-17-31(18-21(20)16-30)27-28-13-12-24(29-27)25-11-6-14-33-25/h1-14,20-21H,15-18H2

>  <InChI Key>
AAHDCERIKHANLG-UHFFFAOYSA-N

