
 CHEMBL2349591

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2349591

>  <PubChem CID>
16737652

>  <Formula>
C29H32F3N3O2S

>  <Molecular Weight>
543.649000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)SC(F)(F)F

>  <Isomeric SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)SC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H32F3N3O2S/c30-29(31,32)38-26-13-7-12-25(22-26)33-28(36)35(17-16-34-18-20-37-21-19-34)15-14-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,22,27H,14-21H2,(H,33,36)

>  <InChI Key>
CJAXIIMEGYPJRF-UHFFFAOYSA-N

