
 LASSBio-773

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M  END

>  <Chemical Name>
LASSBio-773

>  <PubChem CID>
53329788

>  <Formula>
C21H27ClN2O3

>  <Molecular Weight>
390.908000

>  <IUPAC Name>
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)OCO4.Cl

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)OCO4.Cl

>  <InChI Std. ID>
InChI=1S/C21H26N2O3.ClH/c1-24-19-7-3-2-6-18(19)23-13-11-22(12-14-23)10-4-5-17-8-9-20-21(15-17)26-16-25-20;/h2-3,6-9,15H,4-5,10-14,16H2,1H3;1H

>  <InChI Key>
CNXZRLSPJCWTGU-UHFFFAOYSA-N

