CHEMBL1976157 structure

CHEMBL1976157

8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-2-[8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol

Also Known As: 5-(2-oxanyl)-5-pentylimidazolidine-2,4-dione|8,8'-Bis(((2-chloro-5-(trifluoromethyl)phenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol|(1Z)-1-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-7-[(8Z)-8-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one

CAS: 7355-32-0
Molecular Formula C44H36Cl2F6N2O6
Molecular Weight 872.1855 g/mol
LogP 12.5
Topological Polar Surface Area 146.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 14
Rotatable Bonds 7
Exact Mass 872.1855
Monoisotopic Mass 872.1855
Heavy Atoms 60
Complexity 1400.0

Chemical Identifiers

CAS Number 7355-32-0
SMILES CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=C(C=CC(=C6)C(F)(F)F)Cl)O)O)C(C)C)O)O
InChIKey SNDGVCAYHRJYIV-UHFFFAOYSA-N

Product Overview

CHEMBL1976157 (CAS 7355-32-0), with molecular formula C44H36Cl2F6N2O6 and molecular weight 872.1855 g/mol. IUPAC: 8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-2-[8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol.

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