Basic information
- Standard SMILES
O=C(O)C(Nc1cccc(F)c1)c1csc2ccccc12- InChIKey
VCYCZUJGUMKPCM-UHFFFAOYSA-N- Molecular formula
- C16H12FNO2S
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.05727796
Names & identifiers
- Preferred name
- 2-(Benzo[b]thiophen-3-yl)-2-(3-fluorophenylamino)acetic acid
- IUPAC
- 2-(1-benzothiophen-3-yl)-2-(3-fluoroanilino)acetic acid
Names & synonyms
SCHEMBL1696189SCHEMBL16476709VCYCZUJGUMKPCM-UHFFFAOYSA-NAKOS0119945242-(benzo[b]thiophen-3-yl)-2-(3-fluorophenylamino)acetic acid
Database identifiers
- PubChem CID
- 58556992
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
2 records
Compound notes
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