
 CHEMBL159856

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL159856

>  <PubChem CID>
44374781

>  <Formula>
C28H23ClN2O2S

>  <Molecular Weight>
487.014000

>  <IUPAC Name>
N-[4-(2-chloro-5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(C2=C(C1)SC(=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

>  <Isomeric SMILES>
C1CCN(C2=C(C1)SC(=C2)Cl)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H23ClN2O2S/c29-26-18-24-25(34-26)12-6-7-17-31(24)28(33)20-13-15-21(16-14-20)30-27(32)23-11-5-4-10-22(23)19-8-2-1-3-9-19/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,32)

>  <InChI Key>
AZRBAQMNBZZIDL-UHFFFAOYSA-N

