Basic information
- Standard SMILES
O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)N1c1ccc(F)cc1- InChIKey
UAGPSZNJRMSIIZ-UHFFFAOYSA-N- Molecular formula
- C38H40F2N3O3+
- Average molar mass
- 624.7 g/mol
- Monoisotopic mass
- 624.30377347
Names & identifiers
- Preferred name
- 4-[4-[[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
- IUPAC
- 4-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
Names & synonyms
SCHEMBL2911297
Database identifiers
- PubChem CID
- 21083158
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 1
- Complexity
- 964
Related reactions
1 records
Compound notes
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