Basic information
- Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)OCc1cc2cc(-c3ccsc3)ccc2o1- InChIKey
PJGGYWSDZYWEJR-UHFFFAOYSA-N- Molecular formula
- C24H21NO5S
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoate
- IUPAC
- methyl 3-phenyl-2-[(5-thiophen-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]propanoate
Names & synonyms
SCHEMBL5391168
Database identifiers
- PubChem CID
- 69425258
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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