
 MLS000529745

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M  END

>  <Chemical Name>
MLS000529745

>  <PubChem CID>
5235407

>  <Formula>
C26H28N4O4S2

>  <Molecular Weight>
524.654000

>  <IUPAC Name>
ethyl 4-[2-[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfanylacetyl]piperazine-1-carboxylate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H28N4O4S2/c1-2-34-26(33)30-14-12-29(13-15-30)24(32)18-35-17-23(31)28-25-27-22(16-36-25)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16H,2,12-15,17-18H2,1H3,(H,27,28,31)

>  <InChI Key>
APVKJTYNBUKNKK-UHFFFAOYSA-N

