
 CHEMBL24879

 96 98  0  0  0  0  0  0  0  0999 V2000
   16.6774   -1.6424   -4.7648 C   0  0  0  0  0
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   10.7670    6.6812   -2.1835 C   0  0  0  0  0
    9.7962    7.0214   -1.5218 O   0  0  0  0  0
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   13.7419    9.5377   -1.4571 H   0  0  0  0  0
   13.3522   11.8757    0.1785 H   0  0  0  0  0
   11.6771   12.4546    0.0982 H   0  0  0  0  0
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   10.8222   10.4418    1.1778 H   0  0  0  0  0
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   14.2020    7.3811    3.4058 H   0  0  0  0  0
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   13.3586   13.8145   -1.3296 H   0  0  0  0  0
   10.0453   12.6571   -3.7838 H   0  0  0  0  0
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    8.7022   13.5059   -5.3520 H   0  0  0  0  0
    9.3446   18.6576   -2.8051 H   0  0  0  0  0
    8.6233   17.0669   -2.5711 H   0  0  0  0  0
    9.2589   17.5790   -4.1918 H   0  0  0  0  0
   12.6879   16.4942    0.7134 H   0  0  0  0  0
   11.1348   16.7031   -0.1271 H   0  0  0  0  0
   12.3770   17.9747   -0.2132 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL24879

>  <PubChem CID>
10372180

>  <Formula>
C34H49N3O10

>  <Molecular Weight>
659.777000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

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

>  <Isomeric SMILES>
CCCCCCCCNC(=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/C34H49N3O10/c1-8-9-10-11-12-13-14-35-34(40)47-22-25-21-36(32(38)23-17-26(41-2)30(45-6)27(18-23)42-3)15-16-37(25)33(39)24-19-28(43-4)31(46-7)29(20-24)44-5/h17-20,25H,8-16,21-22H2,1-7H3,(H,35,40)

>  <InChI Key>
BSDZFTJWNPWDIZ-UHFFFAOYSA-N

