
 SCHEMBL1973042

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M  END

>  <Chemical Name>
SCHEMBL1973042

>  <PubChem CID>
67233125

>  <Formula>
C27H31Cl3N4O3

>  <Molecular Weight>
565.920000

>  <IUPAC Name>
1-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-3-(4-chlorophenyl)-1-methylurea

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1CCC(CC1)C(=O)N2CCC(C(C2)C3=CC(=C(C=C3)Cl)Cl)N(C)C(=O)NC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC(=O)N1CCC(CC1)C(=O)N2CC[C@H]([C@@H](C2)C3=CC(=C(C=C3)Cl)Cl)N(C)C(=O)NC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C27H31Cl3N4O3/c1-17(35)33-12-9-18(10-13-33)26(36)34-14-11-25(22(16-34)19-3-8-23(29)24(30)15-19)32(2)27(37)31-21-6-4-20(28)5-7-21/h3-8,15,18,22,25H,9-14,16H2,1-2H3,(H,31,37)/t22-,25+/m0/s1

>  <InChI Key>
AXYVSTYNMWOVHD-WIOPSUGQSA-N

