Basic information
- CAS
5143-13-5- Standard SMILES
COc1ccc(C(c2csc3ccccc23)N2CCCCC2C(=O)O)cc1F- InChIKey
RMTKFIKFWFIKTM-UHFFFAOYSA-N- Molecular formula
- C22H22FNO3S
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.1304429
Names & identifiers
- Preferred name
- 1-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
- IUPAC
- 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
Names & synonyms
5143-13-5DTXSID409657451-[(1-Benzothiophen-3-yl)(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
Database identifiers
- CAS
5143-13-5- PubChem CID
- 5216751
- DTXSID
DTXSID40965745
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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