Basic information
- Standard SMILES
O=C(CCCOc1ccccc1Cl)Nc1cscc1C(=O)O- InChIKey
FCPSLRSXCQBQQS-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO4S
- Average molar mass
- 339.8 g/mol
Names & identifiers
- Preferred name
- 4-[4-(2-Chloro-phenoxy)-butyrylamino]-thiophene-3-carboxylic acid
- IUPAC
- 4-[4-(2-chlorophenoxy)butanoylamino]thiophene-3-carboxylic acid
Names & synonyms
SCHEMBL3556584FCPSLRSXCQBQQS-UHFFFAOYSA-N4-[4-(2-Chloro-phenoxy)-butyrylamino]-thiophene-3-carboxylic acid
Database identifiers
- PubChem CID
- 16068151
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
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