
 CHEMBL6263

102104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL6263

>  <PubChem CID>
10439610

>  <Formula>
C36H53N3O10

>  <Molecular Weight>
687.831000

>  <IUPAC Name>
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-dipentylcarbamate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C36H53N3O10/c1-9-11-13-15-37(16-14-12-10-2)36(42)49-24-27-23-38(34(40)25-19-28(43-3)32(47-7)29(20-25)44-4)17-18-39(27)35(41)26-21-30(45-5)33(48-8)31(22-26)46-6/h19-22,27H,9-18,23-24H2,1-8H3

>  <InChI Key>
AKUMVPRSWUGFHR-UHFFFAOYSA-N

