Basic information
- Standard SMILES
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1- InChIKey
MCJRNYRTLMDPFK-XPWALMASSA-N- Molecular formula
- C24H21FINO3
- Average molar mass
- 517.3 g/mol
- Monoisotopic mass
- 517.05502
Names & identifiers
- Preferred name
- (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one
- IUPAC
- (3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one
Names & synonyms
CHEMBL107134SCHEMBL1501780MCJRNYRTLMDPFK-XPWALMASSA-N(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one
Database identifiers
- PubChem CID
- 10098065
- ChEMBL
CHEMBL107134- Nikkaji
- J1.692.506C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Related reactions
3 records
Compound notes
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