
 DG-041

 50 53  0  0  0  0  0  0  0  0999 V2000
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    5.4886   -0.8736   -1.4770 C   0  0  0  0  0
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    8.3088   -3.5312   -1.6177 H   0  0  0  0  0
    5.5569   -0.9171   -3.6300 H   0  0  0  0  0
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M  END

>  <Chemical Name>
DG-041

>  <PubChem CID>
11296282

>  <Formula>
C23H15Cl4FN2O3S2

>  <Molecular Weight>
592.302000

>  <IUPAC Name>
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN(C2=C(C=C(C=C12)F)C=CC(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CC1=CN(C2=C(C=C(C=C12)F)/C=C/C(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+

>  <InChI Key>
BFBTVZNKWXWKNZ-HWKANZROSA-N

