Basic information
- Standard SMILES
O=C(O)COc1ccc([C@@H]2[C@@H](SCC(=O)c3ccc4c(c3)CCC4)C(=O)N2c2ccc(F)cc2)cc1- InChIKey
VHZSUCVUVBRQLQ-KAYWLYCHSA-N- Molecular formula
- C28H24FNO5S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.1359222
Names & identifiers
- Preferred name
- {4-[(2R,3R)-3-{[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetic acid
- IUPAC
- 2-[4-[(2R,3R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]acetic acid
Names & synonyms
SCHEMBL1184357VHZSUCVUVBRQLQ-KAYWLYCHSA-N{4-[(2R,3R)-3-{[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetic acid
Database identifiers
- PubChem CID
- 66934629
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 810
Related reactions
2 records
Compound notes
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