Basic information
- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)OCc1cc2cc(-c3ccsc3)ccc2o1- InChIKey
RQTYYMHHTMIQKS-UHFFFAOYSA-N- Molecular formula
- C23H19NO5S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.09839388
Names & identifiers
- Preferred name
- 3-Phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid
- IUPAC
- 3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid
Names & synonyms
SCHEMBL5396689
Database identifiers
- PubChem CID
- 10180503
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Related reactions
1 records
Compound notes
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