4-[4-[[4-[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

HCID 21083160
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Basic information

Standard SMILES
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(-c4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)cc2)N1c1ccc(F)cc1
InChIKey
UGANPDJZCUJQCP-UHFFFAOYSA-N
Molecular formula
C44H44F2N3O3+
Average molar mass
700.8 g/mol
Monoisotopic mass
700.3350736

Names & identifiers

Preferred name
4-[4-[[4-[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
IUPAC
4-[4-[[4-[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

Names & synonyms

SCHEMBL2912764

Database identifiers

PubChem CID
21083160

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
52

Related reactions

1 records
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Compound notes

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